----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:21:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.540312930118424 2.044000623219381 6.711719953333326 b -3.540312930118417 2.044000623219381 6.711719953333326 c 0.000000000000004 -4.088001246438767 6.711719953333326 Atomic positions (fractional): *1 As 0.16804715684582 0.16804715684582 0.16804715684582 74.922 2 As 0.83195284315418 0.83195284315418 0.83195284315418 74.922 *3 I 0.76330607648467 0.41979567539277 0.06951311252285 126.904 4 I 0.06951311252285 0.76330607648467 0.41979567539277 126.904 5 I 0.41979567539277 0.06951311252285 0.76330607648467 126.904 6 I 0.23669392351533 0.58020432460724 0.93048688747715 126.904 7 I 0.93048688747715 0.23669392351533 0.58020432460723 126.904 8 I 0.58020432460723 0.93048688747715 0.23669392351533 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.080625860236841 0.000000000000000 0.000000000000000 b -3.540312930118421 6.132001869658148 0.000000000000000 c 0.000000000000000 0.000000000000000 20.135159860000002 Atomic positions (fractional): *1 As 0.00000000000000 0.00000000000000 0.16804715684582 74.922 > 1 2 As 0.66666666666667 0.33333333333333 0.16528617648751 74.922 > 2 3 As 0.66666666666667 0.33333333333333 0.50138049017915 74.922 > 1 4 As 0.33333333333333 0.66666666666667 0.49861950982085 74.922 > 2 5 As 0.33333333333333 0.66666666666667 0.83471382351249 74.922 > 1 6 As 0.00000000000000 0.00000000000000 0.83195284315418 74.922 > 2 *7 I 0.67910112168458 0.01469184227724 0.08420495480010 126.904 > 3 8 I 0.98530815772276 0.66440927940733 0.08420495480010 126.904 > 4 9 I 0.33559072059267 0.32089887831543 0.08420495480010 126.904 > 5 10 I 0.98756554498209 0.31864149105609 0.24912837853324 126.904 > 6 11 I 0.68135850894391 0.66892405392600 0.24912837853324 126.904 > 7 12 I 0.33107594607400 0.01243445501791 0.24912837853324 126.904 > 8 13 I 0.34576778835124 0.34802517561058 0.41753828813343 126.904 > 3 14 I 0.65197482438942 0.99774261274066 0.41753828813343 126.904 > 4 15 I 0.00225738725934 0.65423221164876 0.41753828813343 126.904 > 5 16 I 0.65423221164876 0.65197482438942 0.58246171186657 126.904 > 6 17 I 0.34802517561058 0.00225738725934 0.58246171186657 126.904 > 7 18 I 0.99774261274066 0.34576778835124 0.58246171186657 126.904 > 8 19 I 0.01243445501791 0.68135850894391 0.75087162146676 126.904 > 3 20 I 0.31864149105609 0.33107594607400 0.75087162146676 126.904 > 4 21 I 0.66892405392600 0.98756554498209 0.75087162146676 126.904 > 5 22 I 0.32089887831543 0.98530815772276 0.91579504519990 126.904 > 6 23 I 0.01469184227724 0.33559072059267 0.91579504519990 126.904 > 7 24 I 0.66440927940733 0.67910112168458 0.91579504519990 126.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.161251720473683 0.000000000000000 0.000000000000000 b -7.080625860236842 12.264003739316296 0.000000000000000 c 0.000000000000000 0.000000000000000 20.135159860000002 Atomic positions (fractional): *1 As 0.00000000000000 0.00000000000000 0.16804715684582 74.922 > 1 2 As 0.50000000000000 0.00000000000000 0.16804715684582 74.922 > 1 3 As 0.00000000000000 0.50000000000000 0.16804715684582 74.922 > 1 4 As 0.50000000000000 0.50000000000000 0.16804715684582 74.922 > 1 5 As 0.33333333333333 0.16666666666667 0.16528617648751 74.922 > 2 6 As 0.83333333333333 0.16666666666667 0.16528617648751 74.922 > 2 7 As 0.33333333333333 0.66666666666667 0.16528617648751 74.922 > 2 8 As 0.83333333333333 0.66666666666667 0.16528617648751 74.922 > 2 9 As 0.33333333333333 0.16666666666667 0.50138049017915 74.922 > 1 10 As 0.83333333333333 0.16666666666667 0.50138049017915 74.922 > 1 11 As 0.33333333333333 0.66666666666667 0.50138049017915 74.922 > 1 12 As 0.83333333333333 0.66666666666667 0.50138049017915 74.922 > 1 13 As 0.16666666666667 0.33333333333333 0.49861950982085 74.922 > 2 14 As 0.66666666666667 0.33333333333333 0.49861950982085 74.922 > 2 15 As 0.16666666666667 0.83333333333333 0.49861950982085 74.922 > 2 16 As 0.66666666666667 0.83333333333333 0.49861950982085 74.922 > 2 17 As 0.16666666666667 0.33333333333333 0.83471382351249 74.922 > 1 18 As 0.66666666666667 0.33333333333333 0.83471382351249 74.922 > 1 19 As 0.16666666666667 0.83333333333333 0.83471382351249 74.922 > 1 20 As 0.66666666666667 0.83333333333333 0.83471382351249 74.922 > 1 21 As 0.00000000000000 0.00000000000000 0.83195284315418 74.922 > 2 22 As 0.50000000000000 0.00000000000000 0.83195284315418 74.922 > 2 23 As 0.00000000000000 0.50000000000000 0.83195284315418 74.922 > 2 24 As 0.50000000000000 0.50000000000000 0.83195284315418 74.922 > 2 *25 I 0.33955056084229 0.00734592113862 0.08420495480010 126.904 > 3 26 I 0.83955056084229 0.00734592113862 0.08420495480010 126.904 > 3 27 I 0.33955056084229 0.50734592113862 0.08420495480010 126.904 > 3 28 I 0.83955056084229 0.50734592113862 0.08420495480010 126.904 > 3 29 I 0.49265407886138 0.33220463970366 0.08420495480010 126.904 > 4 30 I 0.99265407886138 0.33220463970366 0.08420495480010 126.904 > 4 31 I 0.49265407886138 0.83220463970366 0.08420495480010 126.904 > 4 32 I 0.99265407886138 0.83220463970366 0.08420495480010 126.904 > 4 33 I 0.16779536029634 0.16044943915771 0.08420495480010 126.904 > 5 34 I 0.66779536029634 0.16044943915771 0.08420495480010 126.904 > 5 35 I 0.16779536029634 0.66044943915771 0.08420495480010 126.904 > 5 36 I 0.66779536029634 0.66044943915771 0.08420495480010 126.904 > 5 37 I 0.49378277249105 0.15932074552804 0.24912837853324 126.904 > 6 38 I 0.99378277249105 0.15932074552804 0.24912837853324 126.904 > 6 39 I 0.49378277249105 0.65932074552804 0.24912837853324 126.904 > 6 40 I 0.99378277249105 0.65932074552804 0.24912837853324 126.904 > 6 41 I 0.34067925447196 0.33446202696300 0.24912837853324 126.904 > 7 42 I 0.84067925447196 0.33446202696300 0.24912837853324 126.904 > 7 43 I 0.34067925447196 0.83446202696300 0.24912837853324 126.904 > 7 44 I 0.84067925447196 0.83446202696300 0.24912837853324 126.904 > 7 45 I 0.16553797303700 0.00621722750895 0.24912837853324 126.904 > 8 46 I 0.66553797303700 0.00621722750895 0.24912837853324 126.904 > 8 47 I 0.16553797303700 0.50621722750895 0.24912837853324 126.904 > 8 48 I 0.66553797303700 0.50621722750895 0.24912837853324 126.904 > 8 49 I 0.17288389417562 0.17401258780529 0.41753828813343 126.904 > 3 50 I 0.67288389417562 0.17401258780529 0.41753828813343 126.904 > 3 51 I 0.17288389417562 0.67401258780529 0.41753828813343 126.904 > 3 52 I 0.67288389417562 0.67401258780529 0.41753828813343 126.904 > 3 53 I 0.32598741219471 0.49887130637033 0.41753828813343 126.904 > 4 54 I 0.82598741219471 0.49887130637033 0.41753828813343 126.904 > 4 55 I 0.32598741219471 0.99887130637033 0.41753828813343 126.904 > 4 56 I 0.82598741219471 0.99887130637033 0.41753828813343 126.904 > 4 57 I 0.00112869362967 0.32711610582438 0.41753828813343 126.904 > 5 58 I 0.50112869362967 0.32711610582438 0.41753828813343 126.904 > 5 59 I 0.00112869362967 0.82711610582438 0.41753828813343 126.904 > 5 60 I 0.50112869362967 0.82711610582438 0.41753828813343 126.904 > 5 61 I 0.32711610582438 0.32598741219471 0.58246171186657 126.904 > 6 62 I 0.82711610582438 0.32598741219471 0.58246171186657 126.904 > 6 63 I 0.32711610582438 0.82598741219471 0.58246171186657 126.904 > 6 64 I 0.82711610582438 0.82598741219471 0.58246171186657 126.904 > 6 65 I 0.17401258780529 0.00112869362967 0.58246171186657 126.904 > 7 66 I 0.67401258780529 0.00112869362967 0.58246171186657 126.904 > 7 67 I 0.17401258780529 0.50112869362967 0.58246171186657 126.904 > 7 68 I 0.67401258780529 0.50112869362967 0.58246171186657 126.904 > 7 69 I 0.49887130637033 0.17288389417562 0.58246171186657 126.904 > 8 70 I 0.99887130637033 0.17288389417562 0.58246171186657 126.904 > 8 71 I 0.49887130637033 0.67288389417562 0.58246171186657 126.904 > 8 72 I 0.99887130637033 0.67288389417562 0.58246171186657 126.904 > 8 73 I 0.00621722750895 0.34067925447196 0.75087162146676 126.904 > 3 74 I 0.50621722750895 0.34067925447196 0.75087162146676 126.904 > 3 75 I 0.00621722750895 0.84067925447196 0.75087162146676 126.904 > 3 76 I 0.50621722750895 0.84067925447196 0.75087162146676 126.904 > 3 77 I 0.15932074552804 0.16553797303700 0.75087162146676 126.904 > 4 78 I 0.65932074552804 0.16553797303700 0.75087162146676 126.904 > 4 79 I 0.15932074552804 0.66553797303700 0.75087162146676 126.904 > 4 80 I 0.65932074552804 0.66553797303700 0.75087162146676 126.904 > 4 81 I 0.33446202696300 0.49378277249105 0.75087162146676 126.904 > 5 82 I 0.83446202696300 0.49378277249105 0.75087162146676 126.904 > 5 83 I 0.33446202696300 0.99378277249105 0.75087162146676 126.904 > 5 84 I 0.83446202696300 0.99378277249105 0.75087162146676 126.904 > 5 85 I 0.16044943915771 0.49265407886138 0.91579504519990 126.904 > 6 86 I 0.66044943915771 0.49265407886138 0.91579504519990 126.904 > 6 87 I 0.16044943915771 0.99265407886138 0.91579504519990 126.904 > 6 88 I 0.66044943915771 0.99265407886138 0.91579504519990 126.904 > 6 89 I 0.00734592113862 0.16779536029634 0.91579504519990 126.904 > 7 90 I 0.50734592113862 0.16779536029634 0.91579504519990 126.904 > 7 91 I 0.00734592113862 0.66779536029634 0.91579504519990 126.904 > 7 92 I 0.50734592113862 0.66779536029634 0.91579504519990 126.904 > 7 93 I 0.33220463970366 0.33955056084229 0.91579504519990 126.904 > 8 94 I 0.83220463970366 0.33955056084229 0.91579504519990 126.904 > 8 95 I 0.33220463970366 0.83955056084229 0.91579504519990 126.904 > 8 96 I 0.83220463970366 0.83955056084229 0.91579504519990 126.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3198051 0.0000016 0.0000000 -0.0000016 9.3198051 0.0000000 0.0000000 0.0000000 6.5439737 -------------------------- Born effective charges -------------------------- 1 As 5.6642165 -0.0110846 0.0000000 0.0110846 5.6642165 -0.0000000 -0.0000000 0.0000000 2.3893922 2 As 5.6642165 -0.0110846 0.0000000 0.0110846 5.6642165 -0.0000000 -0.0000000 0.0000000 2.3893922 3 I -2.3410743 0.8315331 -0.4607436 0.8241433 -1.4350701 -0.7205545 -0.2866259 -0.4278017 -0.7964641 4 I -0.9446422 -0.0179129 0.8543903 -0.0253026 -2.8315021 -0.0387384 0.5138001 -0.0343245 -0.7964641 5 I -2.3785000 -0.8025355 -0.3936468 -0.8099253 -1.3976443 0.7592929 -0.2271742 0.4621262 -0.7964641 6 I -2.3410743 0.8315331 -0.4607436 0.8241433 -1.4350701 -0.7205545 -0.2866259 -0.4278017 -0.7964641 7 I -0.9446422 -0.0179129 0.8543903 -0.0253026 -2.8315021 -0.0387384 0.5138001 -0.0343245 -0.7964641 8 I -2.3785000 -0.8025355 -0.3936468 -0.8099253 -1.3976443 0.7592929 -0.2271742 0.4621262 -0.7964641 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 608 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (608, 597), data: False |-- (78, 76), data: True |-- (252, 248), data: True |-- (278, 273), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 160 - Time: 0.463 Solver_block: 160 / 160 - Time: 0.319 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.799 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 608 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (608, 597), data: False |-- (78, 76), data: True |-- (252, 248), data: True |-- (278, 273), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:21:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:21:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.540312930118424 2.044000623219381 6.711719953333326 b -3.540312930118417 2.044000623219381 6.711719953333326 c 0.000000000000004 -4.088001246438767 6.711719953333326 Atomic positions (fractional): 1 As 0.16804715684582 0.16804715684582 0.16804715684582 74.922 2 As 0.83195284315418 0.83195284315418 0.83195284315418 74.922 3 I 0.76330607648467 0.41979567539277 0.06951311252285 126.904 4 I 0.06951311252285 0.76330607648467 0.41979567539277 126.904 5 I 0.41979567539277 0.06951311252285 0.76330607648467 126.904 6 I 0.23669392351533 0.58020432460724 0.93048688747715 126.904 7 I 0.93048688747715 0.23669392351533 0.58020432460723 126.904 8 I 0.58020432460723 0.93048688747715 0.23669392351533 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.161251720473683 0.000000000000000 0.000000000000000 b -7.080625860236842 12.264003739316296 0.000000000000000 c 0.000000000000000 0.000000000000000 20.135159860000002 Atomic positions (fractional): 1 As 0.00000000000000 0.00000000000000 0.16804715684582 74.922 > 1 2 As 0.50000000000000 0.00000000000000 0.16804715684582 74.922 > 1 3 As 0.00000000000000 0.50000000000000 0.16804715684582 74.922 > 1 4 As 0.50000000000000 0.50000000000000 0.16804715684582 74.922 > 1 5 As 0.33333333333333 0.16666666666667 0.16528617648751 74.922 > 5 6 As 0.83333333333333 0.16666666666667 0.16528617648751 74.922 > 5 7 As 0.33333333333333 0.66666666666667 0.16528617648751 74.922 > 5 8 As 0.83333333333333 0.66666666666667 0.16528617648751 74.922 > 5 9 As 0.33333333333333 0.16666666666667 0.50138049017915 74.922 > 1 10 As 0.83333333333333 0.16666666666667 0.50138049017915 74.922 > 1 11 As 0.33333333333333 0.66666666666667 0.50138049017915 74.922 > 1 12 As 0.83333333333333 0.66666666666667 0.50138049017915 74.922 > 1 13 As 0.16666666666667 0.33333333333333 0.49861950982085 74.922 > 5 14 As 0.66666666666667 0.33333333333333 0.49861950982085 74.922 > 5 15 As 0.16666666666667 0.83333333333333 0.49861950982085 74.922 > 5 16 As 0.66666666666667 0.83333333333333 0.49861950982085 74.922 > 5 17 As 0.16666666666667 0.33333333333333 0.83471382351249 74.922 > 1 18 As 0.66666666666667 0.33333333333333 0.83471382351249 74.922 > 1 19 As 0.16666666666667 0.83333333333333 0.83471382351249 74.922 > 1 20 As 0.66666666666667 0.83333333333333 0.83471382351249 74.922 > 1 21 As 0.00000000000000 0.00000000000000 0.83195284315418 74.922 > 5 22 As 0.50000000000000 0.00000000000000 0.83195284315418 74.922 > 5 23 As 0.00000000000000 0.50000000000000 0.83195284315418 74.922 > 5 24 As 0.50000000000000 0.50000000000000 0.83195284315418 74.922 > 5 25 I 0.33955056084229 0.00734592113862 0.08420495480010 126.904 > 25 26 I 0.83955056084229 0.00734592113862 0.08420495480010 126.904 > 25 27 I 0.33955056084229 0.50734592113862 0.08420495480010 126.904 > 25 28 I 0.83955056084229 0.50734592113862 0.08420495480010 126.904 > 25 29 I 0.49265407886138 0.33220463970366 0.08420495480010 126.904 > 29 30 I 0.99265407886138 0.33220463970366 0.08420495480010 126.904 > 29 31 I 0.49265407886138 0.83220463970366 0.08420495480010 126.904 > 29 32 I 0.99265407886138 0.83220463970366 0.08420495480010 126.904 > 29 33 I 0.16779536029634 0.16044943915771 0.08420495480010 126.904 > 33 34 I 0.66779536029634 0.16044943915771 0.08420495480010 126.904 > 33 35 I 0.16779536029634 0.66044943915771 0.08420495480010 126.904 > 33 36 I 0.66779536029634 0.66044943915771 0.08420495480010 126.904 > 33 37 I 0.49378277249105 0.15932074552804 0.24912837853324 126.904 > 37 38 I 0.99378277249105 0.15932074552804 0.24912837853324 126.904 > 37 39 I 0.49378277249105 0.65932074552804 0.24912837853324 126.904 > 37 40 I 0.99378277249105 0.65932074552804 0.24912837853324 126.904 > 37 41 I 0.34067925447196 0.33446202696300 0.24912837853324 126.904 > 41 42 I 0.84067925447196 0.33446202696300 0.24912837853324 126.904 > 41 43 I 0.34067925447196 0.83446202696300 0.24912837853324 126.904 > 41 44 I 0.84067925447196 0.83446202696300 0.24912837853324 126.904 > 41 45 I 0.16553797303700 0.00621722750895 0.24912837853324 126.904 > 45 46 I 0.66553797303700 0.00621722750895 0.24912837853324 126.904 > 45 47 I 0.16553797303700 0.50621722750895 0.24912837853324 126.904 > 45 48 I 0.66553797303700 0.50621722750895 0.24912837853324 126.904 > 45 49 I 0.17288389417562 0.17401258780529 0.41753828813343 126.904 > 25 50 I 0.67288389417562 0.17401258780529 0.41753828813343 126.904 > 25 51 I 0.17288389417562 0.67401258780529 0.41753828813343 126.904 > 25 52 I 0.67288389417562 0.67401258780529 0.41753828813343 126.904 > 25 53 I 0.32598741219471 0.49887130637033 0.41753828813343 126.904 > 29 54 I 0.82598741219471 0.49887130637033 0.41753828813343 126.904 > 29 55 I 0.32598741219471 0.99887130637033 0.41753828813343 126.904 > 29 56 I 0.82598741219471 0.99887130637033 0.41753828813343 126.904 > 29 57 I 0.00112869362967 0.32711610582438 0.41753828813343 126.904 > 33 58 I 0.50112869362967 0.32711610582438 0.41753828813343 126.904 > 33 59 I 0.00112869362967 0.82711610582438 0.41753828813343 126.904 > 33 60 I 0.50112869362967 0.82711610582438 0.41753828813343 126.904 > 33 61 I 0.32711610582438 0.32598741219471 0.58246171186657 126.904 > 37 62 I 0.82711610582438 0.32598741219471 0.58246171186657 126.904 > 37 63 I 0.32711610582438 0.82598741219471 0.58246171186657 126.904 > 37 64 I 0.82711610582438 0.82598741219471 0.58246171186657 126.904 > 37 65 I 0.17401258780529 0.00112869362967 0.58246171186657 126.904 > 41 66 I 0.67401258780529 0.00112869362967 0.58246171186657 126.904 > 41 67 I 0.17401258780529 0.50112869362967 0.58246171186657 126.904 > 41 68 I 0.67401258780529 0.50112869362967 0.58246171186657 126.904 > 41 69 I 0.49887130637033 0.17288389417562 0.58246171186657 126.904 > 45 70 I 0.99887130637033 0.17288389417562 0.58246171186657 126.904 > 45 71 I 0.49887130637033 0.67288389417562 0.58246171186657 126.904 > 45 72 I 0.99887130637033 0.67288389417562 0.58246171186657 126.904 > 45 73 I 0.00621722750895 0.34067925447196 0.75087162146676 126.904 > 25 74 I 0.50621722750895 0.34067925447196 0.75087162146676 126.904 > 25 75 I 0.00621722750895 0.84067925447196 0.75087162146676 126.904 > 25 76 I 0.50621722750895 0.84067925447196 0.75087162146676 126.904 > 25 77 I 0.15932074552804 0.16553797303700 0.75087162146676 126.904 > 29 78 I 0.65932074552804 0.16553797303700 0.75087162146676 126.904 > 29 79 I 0.15932074552804 0.66553797303700 0.75087162146676 126.904 > 29 80 I 0.65932074552804 0.66553797303700 0.75087162146676 126.904 > 29 81 I 0.33446202696300 0.49378277249105 0.75087162146676 126.904 > 33 82 I 0.83446202696300 0.49378277249105 0.75087162146676 126.904 > 33 83 I 0.33446202696300 0.99378277249105 0.75087162146676 126.904 > 33 84 I 0.83446202696300 0.99378277249105 0.75087162146676 126.904 > 33 85 I 0.16044943915771 0.49265407886138 0.91579504519990 126.904 > 37 86 I 0.66044943915771 0.49265407886138 0.91579504519990 126.904 > 37 87 I 0.16044943915771 0.99265407886138 0.91579504519990 126.904 > 37 88 I 0.66044943915771 0.99265407886138 0.91579504519990 126.904 > 37 89 I 0.00734592113862 0.16779536029634 0.91579504519990 126.904 > 41 90 I 0.50734592113862 0.16779536029634 0.91579504519990 126.904 > 41 91 I 0.00734592113862 0.66779536029634 0.91579504519990 126.904 > 41 92 I 0.50734592113862 0.66779536029634 0.91579504519990 126.904 > 41 93 I 0.33220463970366 0.33955056084229 0.91579504519990 126.904 > 45 94 I 0.83220463970366 0.33955056084229 0.91579504519990 126.904 > 45 95 I 0.33220463970366 0.83955056084229 0.91579504519990 126.904 > 45 96 I 0.83220463970366 0.83955056084229 0.91579504519990 126.904 > 45 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3198051 0.0000016 0.0000000 -0.0000016 9.3198051 0.0000000 0.0000000 0.0000000 6.5439737 -------------------------- Born effective charges -------------------------- 1 As 5.6642165 -0.0110846 0.0000000 0.0110846 5.6642165 -0.0000000 -0.0000000 0.0000000 2.3893922 2 As 5.6642165 -0.0110846 0.0000000 0.0110846 5.6642165 -0.0000000 -0.0000000 0.0000000 2.3893922 3 I -2.3410743 0.8315331 -0.4607436 0.8241433 -1.4350701 -0.7205545 -0.2866259 -0.4278017 -0.7964641 4 I -0.9446422 -0.0179129 0.8543903 -0.0253026 -2.8315021 -0.0387384 0.5138001 -0.0343245 -0.7964641 5 I -2.3785000 -0.8025355 -0.3936468 -0.8099253 -1.3976443 0.7592929 -0.2271742 0.4621262 -0.7964641 6 I -2.3410743 0.8315331 -0.4607436 0.8241433 -1.4350701 -0.7205545 -0.2866259 -0.4278017 -0.7964641 7 I -0.9446422 -0.0179129 0.8543903 -0.0253026 -2.8315021 -0.0387384 0.5138001 -0.0343245 -0.7964641 8 I -2.3785000 -0.8025355 -0.3936468 -0.8099253 -1.3976443 0.7592929 -0.2271742 0.4621262 -0.7964641 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:21:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:21:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.540312930118424 2.044000623219381 6.711719953333326 b -3.540312930118417 2.044000623219381 6.711719953333326 c 0.000000000000004 -4.088001246438767 6.711719953333326 Atomic positions (fractional): 1 As 0.16804715684582 0.16804715684582 0.16804715684582 74.922 2 As 0.83195284315418 0.83195284315418 0.83195284315418 74.922 3 I 0.76330607648467 0.41979567539277 0.06951311252285 126.904 4 I 0.06951311252285 0.76330607648467 0.41979567539277 126.904 5 I 0.41979567539277 0.06951311252285 0.76330607648467 126.904 6 I 0.23669392351533 0.58020432460724 0.93048688747715 126.904 7 I 0.93048688747715 0.23669392351533 0.58020432460723 126.904 8 I 0.58020432460723 0.93048688747715 0.23669392351533 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.161251720473683 0.000000000000000 0.000000000000000 b -7.080625860236842 12.264003739316296 0.000000000000000 c 0.000000000000000 0.000000000000000 20.135159860000002 Atomic positions (fractional): 1 As 0.00000000000000 0.00000000000000 0.16804715684582 74.922 > 1 2 As 0.50000000000000 0.00000000000000 0.16804715684582 74.922 > 1 3 As 0.00000000000000 0.50000000000000 0.16804715684582 74.922 > 1 4 As 0.50000000000000 0.50000000000000 0.16804715684582 74.922 > 1 5 As 0.33333333333333 0.16666666666667 0.16528617648751 74.922 > 5 6 As 0.83333333333333 0.16666666666667 0.16528617648751 74.922 > 5 7 As 0.33333333333333 0.66666666666667 0.16528617648751 74.922 > 5 8 As 0.83333333333333 0.66666666666667 0.16528617648751 74.922 > 5 9 As 0.33333333333333 0.16666666666667 0.50138049017915 74.922 > 1 10 As 0.83333333333333 0.16666666666667 0.50138049017915 74.922 > 1 11 As 0.33333333333333 0.66666666666667 0.50138049017915 74.922 > 1 12 As 0.83333333333333 0.66666666666667 0.50138049017915 74.922 > 1 13 As 0.16666666666667 0.33333333333333 0.49861950982085 74.922 > 5 14 As 0.66666666666667 0.33333333333333 0.49861950982085 74.922 > 5 15 As 0.16666666666667 0.83333333333333 0.49861950982085 74.922 > 5 16 As 0.66666666666667 0.83333333333333 0.49861950982085 74.922 > 5 17 As 0.16666666666667 0.33333333333333 0.83471382351249 74.922 > 1 18 As 0.66666666666667 0.33333333333333 0.83471382351249 74.922 > 1 19 As 0.16666666666667 0.83333333333333 0.83471382351249 74.922 > 1 20 As 0.66666666666667 0.83333333333333 0.83471382351249 74.922 > 1 21 As 0.00000000000000 0.00000000000000 0.83195284315418 74.922 > 5 22 As 0.50000000000000 0.00000000000000 0.83195284315418 74.922 > 5 23 As 0.00000000000000 0.50000000000000 0.83195284315418 74.922 > 5 24 As 0.50000000000000 0.50000000000000 0.83195284315418 74.922 > 5 25 I 0.33955056084229 0.00734592113862 0.08420495480010 126.904 > 25 26 I 0.83955056084229 0.00734592113862 0.08420495480010 126.904 > 25 27 I 0.33955056084229 0.50734592113862 0.08420495480010 126.904 > 25 28 I 0.83955056084229 0.50734592113862 0.08420495480010 126.904 > 25 29 I 0.49265407886138 0.33220463970366 0.08420495480010 126.904 > 29 30 I 0.99265407886138 0.33220463970366 0.08420495480010 126.904 > 29 31 I 0.49265407886138 0.83220463970366 0.08420495480010 126.904 > 29 32 I 0.99265407886138 0.83220463970366 0.08420495480010 126.904 > 29 33 I 0.16779536029634 0.16044943915771 0.08420495480010 126.904 > 33 34 I 0.66779536029634 0.16044943915771 0.08420495480010 126.904 > 33 35 I 0.16779536029634 0.66044943915771 0.08420495480010 126.904 > 33 36 I 0.66779536029634 0.66044943915771 0.08420495480010 126.904 > 33 37 I 0.49378277249105 0.15932074552804 0.24912837853324 126.904 > 37 38 I 0.99378277249105 0.15932074552804 0.24912837853324 126.904 > 37 39 I 0.49378277249105 0.65932074552804 0.24912837853324 126.904 > 37 40 I 0.99378277249105 0.65932074552804 0.24912837853324 126.904 > 37 41 I 0.34067925447196 0.33446202696300 0.24912837853324 126.904 > 41 42 I 0.84067925447196 0.33446202696300 0.24912837853324 126.904 > 41 43 I 0.34067925447196 0.83446202696300 0.24912837853324 126.904 > 41 44 I 0.84067925447196 0.83446202696300 0.24912837853324 126.904 > 41 45 I 0.16553797303700 0.00621722750895 0.24912837853324 126.904 > 45 46 I 0.66553797303700 0.00621722750895 0.24912837853324 126.904 > 45 47 I 0.16553797303700 0.50621722750895 0.24912837853324 126.904 > 45 48 I 0.66553797303700 0.50621722750895 0.24912837853324 126.904 > 45 49 I 0.17288389417562 0.17401258780529 0.41753828813343 126.904 > 25 50 I 0.67288389417562 0.17401258780529 0.41753828813343 126.904 > 25 51 I 0.17288389417562 0.67401258780529 0.41753828813343 126.904 > 25 52 I 0.67288389417562 0.67401258780529 0.41753828813343 126.904 > 25 53 I 0.32598741219471 0.49887130637033 0.41753828813343 126.904 > 29 54 I 0.82598741219471 0.49887130637033 0.41753828813343 126.904 > 29 55 I 0.32598741219471 0.99887130637033 0.41753828813343 126.904 > 29 56 I 0.82598741219471 0.99887130637033 0.41753828813343 126.904 > 29 57 I 0.00112869362967 0.32711610582438 0.41753828813343 126.904 > 33 58 I 0.50112869362967 0.32711610582438 0.41753828813343 126.904 > 33 59 I 0.00112869362967 0.82711610582438 0.41753828813343 126.904 > 33 60 I 0.50112869362967 0.82711610582438 0.41753828813343 126.904 > 33 61 I 0.32711610582438 0.32598741219471 0.58246171186657 126.904 > 37 62 I 0.82711610582438 0.32598741219471 0.58246171186657 126.904 > 37 63 I 0.32711610582438 0.82598741219471 0.58246171186657 126.904 > 37 64 I 0.82711610582438 0.82598741219471 0.58246171186657 126.904 > 37 65 I 0.17401258780529 0.00112869362967 0.58246171186657 126.904 > 41 66 I 0.67401258780529 0.00112869362967 0.58246171186657 126.904 > 41 67 I 0.17401258780529 0.50112869362967 0.58246171186657 126.904 > 41 68 I 0.67401258780529 0.50112869362967 0.58246171186657 126.904 > 41 69 I 0.49887130637033 0.17288389417562 0.58246171186657 126.904 > 45 70 I 0.99887130637033 0.17288389417562 0.58246171186657 126.904 > 45 71 I 0.49887130637033 0.67288389417562 0.58246171186657 126.904 > 45 72 I 0.99887130637033 0.67288389417562 0.58246171186657 126.904 > 45 73 I 0.00621722750895 0.34067925447196 0.75087162146676 126.904 > 25 74 I 0.50621722750895 0.34067925447196 0.75087162146676 126.904 > 25 75 I 0.00621722750895 0.84067925447196 0.75087162146676 126.904 > 25 76 I 0.50621722750895 0.84067925447196 0.75087162146676 126.904 > 25 77 I 0.15932074552804 0.16553797303700 0.75087162146676 126.904 > 29 78 I 0.65932074552804 0.16553797303700 0.75087162146676 126.904 > 29 79 I 0.15932074552804 0.66553797303700 0.75087162146676 126.904 > 29 80 I 0.65932074552804 0.66553797303700 0.75087162146676 126.904 > 29 81 I 0.33446202696300 0.49378277249105 0.75087162146676 126.904 > 33 82 I 0.83446202696300 0.49378277249105 0.75087162146676 126.904 > 33 83 I 0.33446202696300 0.99378277249105 0.75087162146676 126.904 > 33 84 I 0.83446202696300 0.99378277249105 0.75087162146676 126.904 > 33 85 I 0.16044943915771 0.49265407886138 0.91579504519990 126.904 > 37 86 I 0.66044943915771 0.49265407886138 0.91579504519990 126.904 > 37 87 I 0.16044943915771 0.99265407886138 0.91579504519990 126.904 > 37 88 I 0.66044943915771 0.99265407886138 0.91579504519990 126.904 > 37 89 I 0.00734592113862 0.16779536029634 0.91579504519990 126.904 > 41 90 I 0.50734592113862 0.16779536029634 0.91579504519990 126.904 > 41 91 I 0.00734592113862 0.66779536029634 0.91579504519990 126.904 > 41 92 I 0.50734592113862 0.66779536029634 0.91579504519990 126.904 > 41 93 I 0.33220463970366 0.33955056084229 0.91579504519990 126.904 > 45 94 I 0.83220463970366 0.33955056084229 0.91579504519990 126.904 > 45 95 I 0.33220463970366 0.83955056084229 0.91579504519990 126.904 > 45 96 I 0.83220463970366 0.83955056084229 0.91579504519990 126.904 > 45 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.3198051 0.0000016 0.0000000 -0.0000016 9.3198051 0.0000000 0.0000000 0.0000000 6.5439737 -------------------------- Born effective charges -------------------------- 1 As 5.6642165 -0.0110846 0.0000000 0.0110846 5.6642165 -0.0000000 -0.0000000 0.0000000 2.3893922 2 As 5.6642165 -0.0110846 0.0000000 0.0110846 5.6642165 -0.0000000 -0.0000000 0.0000000 2.3893922 3 I -2.3410743 0.8315331 -0.4607436 0.8241433 -1.4350701 -0.7205545 -0.2866259 -0.4278017 -0.7964641 4 I -0.9446422 -0.0179129 0.8543903 -0.0253026 -2.8315021 -0.0387384 0.5138001 -0.0343245 -0.7964641 5 I -2.3785000 -0.8025355 -0.3936468 -0.8099253 -1.3976443 0.7592929 -0.2271742 0.4621262 -0.7964641 6 I -2.3410743 0.8315331 -0.4607436 0.8241433 -1.4350701 -0.7205545 -0.2866259 -0.4278017 -0.7964641 7 I -0.9446422 -0.0179129 0.8543903 -0.0253026 -2.8315021 -0.0387384 0.5138001 -0.0343245 -0.7964641 8 I -2.3785000 -0.8025355 -0.3936468 -0.8099253 -1.3976443 0.7592929 -0.2271742 0.4621262 -0.7964641 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.132 ( 3.906 7.469 5.428) 10.025 0.285 ( 13.690 2.391 5.213) 14.843 0.479 ( 21.310 13.849 0.551) 25.421 1.218 ( 0.590 -0.032 -0.162) 0.612 1.234 ( 1.587 1.279 0.367) 2.071 1.349 ( 1.438 0.879 -0.612) 1.793 1.719 ( -1.920 -1.353 -0.402) 2.383 1.759 ( -3.548 -2.063 0.445) 4.128 1.863 ( 0.060 -0.002 -1.235) 1.236 1.901 ( 2.038 1.350 0.242) 2.457 2.143 ( -2.183 -1.072 -0.425) 2.469 2.271 ( -5.366 -4.155 -0.282) 6.792 2.333 ( -0.715 -0.134 0.464) 0.863 2.989 ( 2.606 1.184 0.173) 2.867 3.061 ( -0.897 -0.435 -0.347) 1.056 3.067 ( -0.765 -0.503 -0.202) 0.937 3.151 ( 1.761 0.340 -0.730) 1.936 3.322 ( 1.689 0.783 0.150) 1.867 3.457 ( -1.101 -0.730 -0.186) 1.335 3.731 ( 1.359 -0.257 -2.987) 3.292 4.842 ( -2.284 -8.986 -1.948) 9.474 4.944 ( 1.535 3.017 0.262) 3.395 5.415 ( 11.453 13.713 -42.054) 45.692 6.074 ( -9.723 -6.004 17.829) 21.177 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 7.656 8.056 4.727) 12.077 0.514 ( 9.454 1.192 4.910) 10.720 0.908 ( 18.085 10.751 0.751) 21.053 1.221 ( -0.071 -0.834 -0.088) 0.842 1.281 ( 2.141 2.062 0.284) 2.986 1.395 ( 3.298 1.896 -0.958) 3.923 1.630 ( -5.440 -4.137 -1.008) 6.908 1.676 ( -4.139 -2.533 0.800) 4.918 1.849 ( -0.688 -0.186 -1.419) 1.588 1.938 ( -0.080 1.325 0.303) 1.362 2.079 ( -4.455 -3.542 -0.462) 5.711 2.171 ( 0.877 -4.493 0.394) 4.595 2.327 ( -1.155 0.829 0.604) 1.545 3.024 ( 0.734 -0.625 -1.274) 1.598 3.046 ( -1.047 -0.693 1.054) 1.639 3.056 ( 0.123 1.411 -0.327) 1.453 3.173 ( 1.514 -0.422 -0.795) 1.761 3.355 ( 1.450 0.241 0.009) 1.470 3.422 ( -1.797 -1.046 -0.802) 2.229 3.730 ( 0.838 1.298 -4.666) 4.915 4.705 ( -1.871 -10.211 -1.686) 10.517 5.021 ( 3.839 3.519 0.733) 5.259 5.478 ( 2.182 11.511 -16.540) 20.269 5.929 ( -9.315 -6.798 7.149) 13.568 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 9.411 8.230 4.130) 13.166 0.654 ( 4.806 0.268 3.450) 5.922 1.173 ( -3.596 -2.989 0.433) 4.696 1.208 ( 7.216 3.886 0.718) 8.228 1.361 ( 6.342 4.448 -0.088) 7.747 1.452 ( 0.585 0.263 -1.792) 1.903 1.535 ( 1.158 -0.930 -0.491) 1.564 1.594 ( -3.693 -2.727 0.565) 4.626 1.835 ( -0.605 0.915 -0.120) 1.104 1.900 ( -4.663 -1.288 0.137) 4.840 1.994 ( 0.265 -5.273 -0.090) 5.280 2.187 ( 2.653 -2.162 0.012) 3.422 2.312 ( -1.912 0.695 0.548) 2.107 2.996 ( -1.491 -1.061 -0.740) 1.973 3.045 ( 0.453 0.144 -0.156) 0.500 3.060 ( -1.151 1.013 -0.172) 1.543 3.179 ( 0.954 -1.933 -0.542) 2.223 3.360 ( -0.226 -1.017 -0.975) 1.427 3.391 ( -0.523 0.216 -0.366) 0.674 3.735 ( 0.236 2.978 -3.908) 4.919 4.598 ( -0.526 -6.917 -1.385) 7.074 5.115 ( 4.476 0.544 0.714) 4.565 5.511 ( -3.123 11.542 -5.628) 13.215 5.763 ( -5.975 -7.734 1.902) 9.957 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 1.388 -0.055 1.317) 1.914 0.805 ( 9.406 8.124 2.646) 12.707 1.025 ( -8.148 -6.828 -0.706) 10.654 1.271 ( 0.457 0.837 0.175) 0.969 1.421 ( -0.288 -0.885 -1.218) 1.533 1.516 ( 3.610 1.054 0.482) 3.792 1.534 ( 0.202 0.455 -0.236) 0.551 1.617 ( 3.684 3.187 0.118) 4.873 1.821 ( 1.327 -7.416 -0.648) 7.561 1.827 ( -4.952 4.312 1.441) 6.723 1.965 ( 0.294 -1.801 -0.390) 1.866 2.192 ( 0.288 -1.052 -0.233) 1.115 2.297 ( -0.754 0.342 0.220) 0.856 2.971 ( -0.565 -0.159 -0.010) 0.587 3.043 ( -1.757 1.886 -0.290) 2.594 3.054 ( 1.223 -1.348 -0.424) 1.869 3.167 ( 0.126 -1.455 0.007) 1.460 3.343 ( -0.205 -0.328 -0.557) 0.678 3.391 ( 0.046 0.047 -0.030) 0.072 3.743 ( -0.082 1.593 -1.529) 2.209 4.549 ( 0.086 -2.190 -0.633) 2.281 5.163 ( 1.732 -1.090 0.248) 2.061 5.546 ( -3.228 10.839 0.119) 11.310 5.637 ( -0.651 -8.605 -0.955) 8.682 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( -4.787 6.376 6.601) 10.351 0.277 ( 0.512 10.940 5.349) 12.189 0.510 ( 0.816 24.480 4.007) 24.819 1.220 ( -0.665 0.595 -0.066) 0.895 1.232 ( 0.588 1.689 0.223) 1.803 1.344 ( 0.115 1.662 -1.197) 2.051 1.720 ( -0.456 -2.144 -0.378) 2.224 1.757 ( 0.055 -4.192 0.182) 4.196 1.873 ( -0.155 0.633 -0.088) 0.658 1.886 ( 0.308 2.152 -1.419) 2.596 2.141 ( -0.293 -2.208 -0.722) 2.341 2.276 ( 0.804 -6.969 0.312) 7.022 2.325 ( -1.484 -0.988 -0.509) 1.855 2.988 ( -0.762 2.896 -0.053) 2.996 3.058 ( 0.161 -1.487 -0.291) 1.524 3.075 ( 0.049 -0.261 0.443) 0.517 3.144 ( -0.919 2.537 -1.440) 3.058 3.321 ( 0.086 1.708 0.050) 1.711 3.457 ( -0.203 -1.164 -0.153) 1.192 3.762 ( -2.850 3.006 0.602) 4.186 4.693 ( -5.827 0.025 -25.257) 25.920 4.936 ( -1.107 2.312 -0.560) 2.623 5.249 ( 9.708 29.323 -31.931) 44.426 6.162 ( 0.055 -15.153 13.986) 20.621 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 10.362 8.961 0.640) 13.715 0.405 ( 3.146 6.613 8.562) 11.267 0.822 ( 8.960 17.844 2.541) 20.128 1.220 ( 0.003 0.573 -0.527) 0.779 1.262 ( 1.530 0.835 0.256) 1.761 1.376 ( 2.017 3.607 -1.385) 4.358 1.648 ( -3.569 -5.200 -1.457) 6.473 1.707 ( -2.223 -3.815 1.044) 4.537 1.853 ( -1.615 -0.388 -0.689) 1.798 1.925 ( 2.214 1.177 -0.794) 2.630 2.107 ( 0.476 -1.303 -1.340) 1.928 2.173 ( -7.041 -5.336 -0.466) 8.847 2.292 ( 1.756 -3.694 -0.921) 4.193 3.018 ( 0.057 1.807 -0.013) 1.808 3.042 ( 0.380 -1.199 -0.471) 1.343 3.059 ( -0.668 -0.209 0.341) 0.778 3.161 ( 0.433 2.281 -1.020) 2.536 3.345 ( 0.650 1.489 -0.209) 1.638 3.433 ( -0.937 -1.051 -0.625) 1.540 3.768 ( -0.931 7.489 -3.073) 8.148 4.506 ( -0.060 -10.537 -13.764) 17.334 4.988 ( 3.783 1.928 0.203) 4.251 5.476 ( 6.991 17.236 -15.790) 24.399 6.032 ( -7.221 -12.120 8.530) 16.487 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 5.022 10.318 4.167) 12.208 0.612 ( 7.598 5.628 3.719) 10.160 1.097 ( 9.574 7.147 1.101) 11.998 1.210 ( -2.117 -0.147 0.001) 2.122 1.297 ( 3.285 -0.948 -0.123) 3.421 1.455 ( 1.985 5.462 -1.544) 6.013 1.526 ( -2.769 -3.701 -1.624) 4.899 1.633 ( -3.732 -3.203 1.402) 5.114 1.815 ( -0.857 -3.480 -0.240) 3.592 1.955 ( 1.223 0.054 -1.284) 1.774 2.009 ( -7.689 -1.074 0.388) 7.773 2.143 ( 3.569 2.603 -1.333) 4.614 2.289 ( 2.566 -3.416 -1.547) 4.544 2.996 ( -1.076 -0.896 -0.981) 1.710 3.034 ( -0.369 -2.642 0.937) 2.828 3.075 ( 0.635 1.432 -0.544) 1.658 3.175 ( -0.548 1.945 -0.701) 2.139 3.355 ( -0.295 0.573 -1.267) 1.421 3.410 ( -1.075 0.436 -0.371) 1.218 3.798 ( -3.697 9.454 -3.691) 10.801 4.371 ( 6.666 -16.347 -7.195) 19.064 5.070 ( 4.198 1.032 1.681) 4.639 5.608 ( 1.561 12.409 -7.779) 14.729 5.835 ( -9.321 -9.650 4.449) 14.135 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 1.879 4.663 3.297) 6.012 0.792 ( 5.823 11.474 1.905) 13.007 1.112 ( -8.583 -3.415 -0.019) 9.237 1.227 ( 3.854 -1.892 -0.575) 4.332 1.388 ( 9.075 -0.248 0.183) 9.080 1.429 ( -0.929 0.025 -0.943) 1.324 1.551 ( -2.190 -1.763 0.138) 2.815 1.601 ( 3.156 4.461 -0.081) 5.465 1.739 ( -1.585 -8.263 -0.081) 8.414 1.940 ( -2.132 3.508 1.200) 4.277 1.979 ( -0.809 3.496 -0.788) 3.673 2.213 ( 1.652 3.099 -1.266) 3.733 2.296 ( -0.086 3.375 -1.958) 3.903 2.975 ( 0.086 -0.783 -0.773) 1.103 3.000 ( -0.057 -4.215 0.596) 4.257 3.086 ( -0.162 1.804 -0.943) 2.042 3.175 ( -1.011 1.980 -0.476) 2.274 3.341 ( -0.560 0.315 -1.253) 1.408 3.401 ( -0.823 0.737 0.139) 1.114 3.776 ( -3.801 3.399 -2.275) 5.584 4.342 ( 10.689 -14.404 -4.203) 18.423 5.155 ( 3.705 0.752 3.813) 5.369 5.623 ( -8.408 -7.724 1.263) 11.487 5.683 ( -1.248 9.492 -3.650) 10.246 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -2.883 4.569 0.401) 5.418 0.907 ( -11.050 -4.133 -1.563) 11.901 0.997 ( 5.454 9.897 1.179) 11.361 1.235 ( 1.697 -3.478 -0.719) 3.936 1.436 ( 0.517 1.892 0.462) 2.015 1.492 ( 3.144 -2.123 -0.342) 3.809 1.530 ( 0.125 -3.534 1.033) 3.684 1.606 ( 1.199 -4.879 -0.279) 5.032 1.705 ( 2.144 -0.257 -1.283) 2.512 1.944 ( -3.467 4.297 1.751) 5.792 2.011 ( -0.095 5.728 -1.157) 5.844 2.229 ( 2.100 -2.431 -2.031) 3.801 2.321 ( -5.875 13.653 -2.006) 14.998 2.970 ( -0.056 -0.331 0.094) 0.349 2.976 ( 1.790 -4.109 0.607) 4.523 3.097 ( -0.781 1.842 -0.217) 2.012 3.191 ( 0.423 4.243 -0.928) 4.364 3.340 ( 0.657 0.381 -0.025) 0.759 3.397 ( -0.428 0.304 0.333) 0.622 3.739 ( -0.686 -1.450 0.423) 1.659 4.376 ( 11.381 -12.569 -2.939) 17.209 5.248 ( 1.766 3.731 6.503) 7.702 5.429 ( -5.295 -9.272 -2.318) 10.926 5.731 ( -1.246 7.815 -1.009) 7.978 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -11.749 -3.267 -1.618) 12.302 0.745 ( -6.521 4.373 -2.392) 8.208 1.150 ( 3.915 5.824 0.128) 7.019 1.218 ( -0.014 -3.306 -0.473) 3.339 1.385 ( -5.092 -9.079 -0.352) 10.416 1.481 ( 0.828 2.737 1.208) 3.105 1.547 ( 3.224 1.251 -0.615) 3.513 1.602 ( -2.936 0.310 -0.413) 2.981 1.731 ( 5.279 -3.230 -0.804) 6.241 1.933 ( -2.792 2.803 1.425) 4.205 2.051 ( -0.349 5.156 -1.274) 5.322 2.233 ( 3.359 -3.344 -2.175) 5.215 2.313 ( -8.078 10.814 -3.181) 13.868 2.979 ( 2.064 -0.053 -0.050) 2.065 2.994 ( 2.597 -1.271 0.526) 2.939 3.085 ( -1.795 0.321 0.679) 1.946 3.224 ( -1.291 3.163 -0.374) 3.437 3.371 ( 1.166 2.425 0.513) 2.740 3.395 ( -0.471 0.158 0.207) 0.539 3.754 ( 1.282 1.516 3.703) 4.201 4.438 ( 12.585 -11.525 -3.125) 17.348 5.216 ( -8.433 -2.677 -1.552) 8.983 5.402 ( 6.532 -1.146 7.143) 9.747 5.777 ( 0.086 5.518 -0.698) 5.562 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -12.238 0.025 -1.112) 12.289 0.628 ( -9.749 0.676 -3.796) 10.484 1.086 ( -11.889 -5.630 0.247) 13.157 1.235 ( 0.457 3.434 -0.411) 3.489 1.271 ( -0.207 -4.021 -0.192) 4.031 1.473 ( -6.575 0.829 0.306) 6.634 1.572 ( 4.365 1.382 -1.087) 4.706 1.627 ( 3.829 0.868 0.073) 3.927 1.805 ( 5.629 -0.927 0.373) 5.717 1.932 ( -0.696 1.134 1.173) 1.773 2.084 ( 1.039 2.962 -1.230) 3.371 2.225 ( -2.596 -1.113 -3.749) 4.694 2.265 ( 0.444 2.178 -1.524) 2.695 3.017 ( 2.461 -1.026 0.394) 2.695 3.027 ( 1.755 0.947 -1.110) 2.282 3.063 ( -1.826 0.404 0.994) 2.118 3.206 ( -1.958 -0.416 0.280) 2.021 3.378 ( -1.548 -0.032 -0.009) 1.548 3.414 ( 1.179 1.654 0.144) 2.036 3.820 ( -2.290 7.233 3.694) 8.438 4.527 ( 14.255 -10.210 -4.737) 18.163 5.068 ( -5.314 -1.897 -2.335) 6.106 5.544 ( 2.321 1.703 14.291) 14.578 5.830 ( 3.893 2.555 -4.199) 6.270 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( -10.146 4.815 2.032) 11.413 0.408 ( -13.047 -3.751 -3.742) 14.082 0.794 ( -21.083 0.110 0.549) 21.090 1.230 ( -0.781 -0.433 -0.659) 1.110 1.256 ( -1.659 0.577 0.470) 1.818 1.388 ( -3.926 -0.072 0.118) 3.928 1.667 ( 6.062 -0.017 -0.829) 6.119 1.696 ( 4.382 -0.104 0.150) 4.386 1.861 ( 1.533 0.034 -0.009) 1.534 1.928 ( -1.741 0.340 0.416) 1.822 2.122 ( 0.756 1.814 -0.415) 2.008 2.191 ( 5.878 -4.537 -1.629) 7.602 2.306 ( 1.682 2.661 -0.739) 3.234 3.022 ( -1.675 -0.282 -0.334) 1.731 3.047 ( 1.361 -0.293 0.502) 1.480 3.057 ( 0.122 0.837 -0.617) 1.047 3.172 ( -1.529 -0.572 -0.254) 1.652 3.347 ( -1.921 -0.309 -0.021) 1.946 3.441 ( 1.258 0.142 -0.282) 1.297 3.806 ( -5.208 1.217 -1.304) 5.505 4.662 ( 13.746 -2.570 -4.562) 14.709 4.994 ( -3.619 1.765 -0.962) 4.140 5.623 ( -3.800 0.110 10.395) 11.069 5.909 ( 8.013 -0.198 -2.904) 8.525 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -1.331 8.326 6.897) 10.893 0.481 ( -11.083 7.366 4.767) 14.136 0.810 ( -8.792 18.489 2.535) 20.629 1.241 ( -0.667 0.552 0.613) 1.061 1.247 ( -0.721 1.380 -0.508) 1.638 1.373 ( -2.207 3.582 -1.478) 4.459 1.672 ( 3.182 -3.804 -0.472) 4.982 1.704 ( 1.814 -4.258 1.124) 4.763 1.851 ( 1.704 -0.187 -1.163) 2.071 1.915 ( -1.179 0.086 -1.049) 1.580 2.123 ( 1.208 0.717 -0.114) 1.409 2.219 ( -1.746 -4.221 1.427) 4.785 2.315 ( 1.713 -0.764 0.340) 1.906 3.023 ( -0.862 1.594 -0.617) 1.914 3.037 ( 0.430 -1.440 -0.094) 1.506 3.070 ( 1.067 0.494 0.579) 1.311 3.169 ( -0.896 0.994 -0.580) 1.458 3.346 ( -1.281 1.260 -0.196) 1.808 3.442 ( 0.976 -0.785 -0.193) 1.268 3.806 ( 4.105 7.470 -1.366) 8.632 4.636 ( -5.390 -13.754 -9.463) 17.543 5.014 ( -2.070 4.204 1.181) 4.832 5.250 ( -3.595 15.063 -23.055) 27.773 6.038 ( 6.332 -10.661 7.012) 14.245 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -2.193 8.893 5.686) 10.780 0.498 ( -0.748 6.758 5.189) 8.553 0.954 ( 0.151 19.674 2.839) 19.878 1.217 ( -0.201 -1.404 -0.373) 1.466 1.269 ( -0.741 2.501 -0.191) 2.615 1.380 ( 0.322 4.194 -1.511) 4.470 1.641 ( -1.860 -5.177 0.189) 5.505 1.688 ( 0.588 -3.834 0.618) 3.928 1.873 ( 0.145 -0.454 -0.437) 0.647 1.895 ( 0.617 0.282 -2.075) 2.183 2.111 ( -4.359 -2.090 0.656) 4.879 2.128 ( 1.391 -6.293 -0.959) 6.516 2.301 ( -3.277 -1.164 -0.719) 3.551 3.019 ( 0.231 -0.706 -0.823) 1.109 3.041 ( 0.504 1.043 0.345) 1.208 3.079 ( -1.355 -0.015 0.613) 1.488 3.169 ( 0.394 1.322 -0.776) 1.583 3.349 ( 0.280 1.372 -0.354) 1.444 3.429 ( -0.656 -1.567 -0.249) 1.717 3.830 ( -2.789 3.494 0.015) 4.470 4.447 ( -3.813 -1.802 -14.894) 15.479 4.989 ( -2.049 4.406 -0.755) 4.918 5.375 ( 10.749 12.271 -13.357) 21.084 6.010 ( -0.285 -13.204 6.330) 14.646 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 8.729 9.734 3.557) 13.550 0.598 ( 3.171 5.718 4.965) 8.210 1.115 ( 0.095 9.666 0.738) 9.694 1.217 ( 1.661 0.522 -0.436) 1.795 1.265 ( -1.115 0.309 0.180) 1.171 1.454 ( 3.747 6.086 -1.185) 7.245 1.544 ( -4.620 -3.846 -0.152) 6.013 1.654 ( -1.417 -3.289 1.113) 3.751 1.818 ( -3.726 -3.499 0.206) 5.115 1.921 ( 2.582 0.321 -1.989) 3.275 2.055 ( 0.129 -4.853 -0.435) 4.874 2.115 ( 2.699 2.863 -1.710) 4.291 2.226 ( -2.141 -2.177 -0.125) 3.056 3.006 ( -0.297 -2.224 0.009) 2.244 3.030 ( -3.080 -1.021 0.307) 3.260 3.073 ( 1.024 1.409 -0.475) 1.805 3.190 ( 0.751 1.447 -0.839) 1.834 3.361 ( -0.065 1.059 -0.974) 1.440 3.411 ( 0.319 -1.001 -0.206) 1.070 3.880 ( 3.325 4.904 -0.719) 5.968 4.232 ( -10.262 -3.657 -10.681) 15.256 5.035 ( 2.462 2.944 0.763) 3.913 5.571 ( 9.075 8.468 -9.135) 15.411 5.880 ( -5.112 -12.086 4.995) 14.041 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.826 6.301 3.522) 8.683 0.802 ( 7.851 9.269 2.420) 12.386 1.147 ( 1.445 -2.591 -1.878) 3.511 1.223 ( -5.219 0.809 0.989) 5.373 1.279 ( 3.904 1.815 0.268) 4.314 1.455 ( -3.061 -0.372 -0.012) 3.084 1.555 ( 1.970 2.240 -0.650) 3.053 1.603 ( -1.633 -1.347 0.985) 2.335 1.712 ( -3.187 -5.875 0.276) 6.690 1.960 ( 2.277 2.560 -1.555) 3.762 2.028 ( -0.611 0.972 0.225) 1.169 2.174 ( 0.124 -1.863 0.187) 1.876 2.306 ( 9.697 11.341 -0.334) 14.926 2.960 ( -1.847 -2.380 -0.282) 3.026 2.984 ( -1.007 -2.819 -0.121) 2.996 3.090 ( 0.119 0.893 -0.957) 1.315 3.205 ( -0.138 1.844 -0.726) 1.987 3.354 ( -1.005 1.176 -1.377) 2.071 3.412 ( 0.377 -0.501 0.013) 0.627 3.921 ( -9.462 6.043 -2.344) 11.469 4.030 ( 5.794 -12.880 -5.013) 14.986 5.112 ( 3.718 1.703 1.862) 4.493 5.700 ( -4.854 -4.900 2.700) 7.406 5.705 ( 1.691 2.013 -5.162) 5.793 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.592 6.432 1.850) 6.719 0.969 ( 1.960 2.674 0.183) 3.320 1.079 ( -4.679 2.699 -0.848) 5.468 1.174 ( 0.155 -2.282 0.646) 2.377 1.374 ( 6.374 -0.972 -0.293) 6.454 1.446 ( 0.363 1.693 0.114) 1.736 1.513 ( -2.268 -4.176 0.457) 4.774 1.567 ( -1.363 -4.307 0.499) 4.545 1.689 ( 1.324 1.625 -0.757) 2.228 2.010 ( 0.750 2.124 0.419) 2.291 2.047 ( -0.152 3.823 -0.135) 3.828 2.156 ( 1.058 -2.756 -1.083) 3.144 2.565 ( -0.576 21.797 -0.163) 21.805 2.923 ( 0.349 -3.046 -0.287) 3.080 2.963 ( 1.611 -1.002 0.941) 2.117 3.089 ( 1.210 -0.437 -1.639) 2.084 3.220 ( 0.071 3.910 -0.899) 4.013 3.343 ( -0.869 0.927 -0.624) 1.415 3.408 ( -0.355 -0.539 0.179) 0.670 3.766 ( -6.300 -1.972 -1.640) 6.802 4.045 ( 10.622 -14.348 -1.846) 17.948 5.202 ( 4.869 0.343 2.307) 5.399 5.514 ( -8.801 -5.343 1.418) 10.393 5.778 ( 1.558 4.703 -2.540) 5.567 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -10.298 -1.338 0.590) 10.401 0.884 ( -6.165 3.809 -0.517) 7.265 1.155 ( 1.496 1.664 1.149) 2.515 1.180 ( 2.895 2.914 -1.602) 4.408 1.369 ( -2.971 -6.836 -0.731) 7.490 1.472 ( 2.257 0.348 -0.511) 2.340 1.497 ( 3.607 0.224 1.603) 3.953 1.566 ( 3.217 -0.806 -1.251) 3.545 1.702 ( -0.973 0.553 -0.443) 1.204 2.013 ( -2.707 1.129 1.614) 3.347 2.062 ( -0.033 0.006 -1.958) 1.958 2.163 ( 2.059 1.081 -1.322) 2.675 2.591 ( -13.851 13.086 -3.678) 19.407 2.921 ( 2.334 -1.256 0.050) 2.651 2.986 ( 0.134 1.096 -0.081) 1.108 3.104 ( 0.352 -0.831 0.581) 1.074 3.272 ( -1.624 3.930 -1.293) 4.445 3.364 ( 3.167 2.779 0.199) 4.217 3.399 ( 0.014 -0.556 0.115) 0.568 3.739 ( 4.514 1.965 2.772) 5.650 4.083 ( 12.913 -15.137 -2.023) 19.999 5.234 ( -1.738 -5.501 -2.040) 6.119 5.414 ( -0.532 2.685 5.407) 6.061 5.814 ( 0.001 2.574 -0.721) 2.673 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -11.405 -0.043 1.367) 11.486 0.784 ( -9.926 0.746 -0.958) 10.000 1.163 ( -0.627 -0.987 1.095) 1.602 1.221 ( 0.130 -3.387 -0.719) 3.465 1.280 ( -2.336 3.868 -0.731) 4.578 1.509 ( 2.843 0.209 -2.380) 3.714 1.566 ( 2.266 0.881 -0.134) 2.435 1.591 ( -2.339 -0.214 -0.381) 2.379 1.701 ( 4.931 0.246 0.361) 4.950 1.980 ( -2.917 0.721 1.470) 3.346 2.036 ( 1.113 -4.330 -2.045) 4.917 2.209 ( 1.182 3.409 -1.583) 3.940 2.400 ( -13.026 2.010 -4.313) 13.868 2.966 ( 3.380 0.043 0.383) 3.402 3.004 ( 1.467 0.683 -1.465) 2.184 3.095 ( -1.206 0.229 0.753) 1.440 3.230 ( -2.498 -1.742 -0.316) 3.061 3.390 ( -0.188 -0.726 -0.403) 0.851 3.413 ( 0.455 0.685 -0.195) 0.845 3.910 ( 2.728 6.110 2.866) 7.279 4.174 ( 15.494 -5.990 -2.838) 16.852 5.113 ( -4.505 -1.780 -2.246) 5.339 5.543 ( 6.919 2.064 7.635) 10.508 5.810 ( -1.219 -0.919 -1.186) 1.933 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -10.670 0.930 3.399) 11.237 0.590 ( -11.905 -0.371 -0.273) 11.914 1.084 ( -11.735 5.085 0.297) 12.793 1.210 ( 1.986 -2.511 0.107) 3.204 1.299 ( -1.461 3.510 -0.058) 3.802 1.475 ( -7.078 -0.573 -0.604) 7.127 1.553 ( 5.116 -0.836 -1.794) 5.486 1.622 ( 4.326 -1.271 -0.045) 4.509 1.818 ( 4.766 1.691 -0.065) 5.057 1.959 ( -1.411 -0.020 0.902) 1.675 2.019 ( 5.440 -6.057 -1.593) 8.295 2.171 ( -4.925 0.407 -2.038) 5.346 2.312 ( 0.442 2.513 -1.099) 2.779 3.017 ( 1.250 1.178 -0.831) 1.908 3.020 ( 1.908 -0.655 0.129) 2.021 3.079 ( -1.336 0.219 -0.049) 1.355 3.184 ( -1.079 -1.340 -0.239) 1.738 3.370 ( -1.175 -0.371 -0.463) 1.317 3.418 ( 0.837 -1.005 -0.507) 1.402 3.861 ( -5.129 -5.851 -3.533) 8.545 4.443 ( 14.504 9.485 -1.409) 17.387 5.059 ( -2.727 2.234 -0.369) 3.545 5.689 ( -1.538 -3.243 4.521) 5.773 5.764 ( 6.804 -2.604 -1.579) 7.454 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -5.644 8.110 5.293) 11.209 0.696 ( -3.822 7.342 4.096) 9.235 1.093 ( -10.102 6.525 1.011) 12.068 1.238 ( 2.855 1.121 -0.044) 3.068 1.274 ( -3.829 -1.578 0.103) 4.143 1.462 ( -2.311 6.728 -0.874) 7.167 1.573 ( 3.575 -1.283 -0.843) 3.891 1.643 ( 3.171 -2.882 1.752) 4.629 1.804 ( 1.113 -4.591 0.408) 4.742 1.905 ( 0.233 -0.099 -1.991) 2.007 2.097 ( 3.085 1.399 0.231) 3.395 2.281 ( -1.819 -2.393 2.496) 3.907 2.287 ( 1.426 7.751 1.321) 7.991 3.006 ( 0.595 -1.946 -0.945) 2.244 3.038 ( 2.706 0.014 -0.686) 2.791 3.055 ( -0.832 0.137 0.633) 1.054 3.195 ( -1.494 1.721 -0.865) 2.438 3.374 ( -1.035 1.073 -0.406) 1.546 3.408 ( 2.646 0.317 -0.592) 2.730 3.756 ( 7.016 6.152 -3.734) 10.050 4.528 ( -4.520 -16.968 -5.692) 18.459 5.106 ( -3.670 5.431 1.912) 6.829 5.318 ( -5.119 2.465 -10.609) 12.034 5.881 ( 6.997 -4.941 2.214) 8.847 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -3.263 6.430 5.549) 9.098 0.660 ( -9.336 6.138 3.423) 11.685 1.114 ( 0.519 11.343 1.498) 11.453 1.200 ( -1.557 -4.349 -0.198) 4.624 1.300 ( 1.626 4.053 0.092) 4.368 1.467 ( -5.259 7.864 -0.655) 9.483 1.606 ( 2.707 -2.182 -0.024) 3.477 1.645 ( 0.114 -3.843 1.689) 4.199 1.806 ( 4.193 -4.409 -0.634) 6.118 1.890 ( -0.625 0.586 -2.658) 2.793 2.081 ( -2.713 -5.122 1.391) 5.961 2.234 ( -6.163 2.175 1.170) 6.639 2.321 ( -3.084 1.540 -0.476) 3.480 3.002 ( 1.003 -1.476 -0.346) 1.817 3.037 ( -0.171 -0.253 -0.346) 0.462 3.087 ( 1.467 0.794 0.147) 1.675 3.174 ( -1.188 0.440 -0.492) 1.359 3.363 ( -0.893 1.042 -0.651) 1.519 3.420 ( -0.101 -1.263 -0.452) 1.346 3.894 ( -0.123 2.632 -1.881) 3.237 4.312 ( 5.464 -8.196 -9.520) 13.699 5.104 ( -4.872 4.986 1.299) 7.091 5.284 ( 2.886 7.388 -9.939) 12.716 5.909 ( 2.653 -8.907 3.162) 9.817 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -0.170 9.323 3.913) 10.112 0.638 ( -0.535 3.214 4.437) 5.505 1.124 ( -0.515 -5.805 -1.212) 5.953 1.248 ( 1.600 5.533 2.001) 6.097 1.359 ( -3.489 9.718 -0.081) 10.326 1.456 ( -0.389 4.734 -1.061) 4.867 1.590 ( -3.286 -1.318 1.914) 4.025 1.632 ( 1.169 -2.289 0.395) 2.600 1.840 ( 5.204 -3.119 -1.850) 6.343 1.854 ( -3.146 -1.281 -0.984) 3.536 1.999 ( -1.012 -4.051 0.272) 4.185 2.128 ( -5.552 0.342 -0.425) 5.579 2.264 ( -2.755 -1.818 -0.618) 3.358 2.990 ( -0.273 -1.436 -0.068) 1.463 3.055 ( 1.993 0.238 -0.395) 2.046 3.079 ( -2.729 -0.484 -0.069) 2.773 3.171 ( 0.995 -0.346 -0.432) 1.139 3.362 ( 0.233 0.692 -0.539) 0.907 3.395 ( -0.365 -1.618 -0.546) 1.746 3.865 ( -0.222 1.000 -1.824) 2.092 4.311 ( -1.828 0.158 -7.322) 7.549 5.084 ( -3.373 6.522 -0.274) 7.347 5.418 ( 10.859 5.655 -6.653) 13.934 5.844 ( -1.460 -10.942 3.525) 11.588 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 5.692 3.725 1.971) 7.083 0.776 ( 6.405 8.511 3.980) 11.371 1.063 ( 1.674 -7.356 -1.603) 7.713 1.281 ( -1.557 1.189 1.149) 2.271 1.360 ( -4.955 8.416 -0.490) 9.779 1.518 ( -1.960 1.818 0.934) 2.832 1.541 ( 0.153 1.482 0.311) 1.522 1.619 ( -1.428 -1.809 0.743) 2.421 1.741 ( -5.893 -4.385 0.685) 7.377 1.907 ( 5.360 0.861 -1.696) 5.687 1.995 ( 2.802 -0.066 -1.531) 3.193 2.188 ( 10.423 3.945 1.734) 11.278 2.207 ( -1.490 -0.647 1.119) 1.972 2.968 ( -0.947 -1.312 -0.276) 1.641 3.006 ( -4.417 -1.631 0.033) 4.709 3.085 ( 1.072 0.823 -0.783) 1.562 3.191 ( 2.197 -0.376 -0.303) 2.250 3.370 ( -0.185 1.093 -0.820) 1.379 3.382 ( 1.040 -1.846 -0.385) 2.154 3.864 ( 1.183 -3.064 -2.349) 4.038 4.163 ( -12.962 2.603 -3.999) 13.812 5.115 ( 0.273 4.982 0.339) 5.001 5.598 ( 9.252 3.432 -5.416) 11.256 5.720 ( -3.520 -9.720 3.117) 10.797 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 6.907 3.177 -0.011) 7.603 0.944 ( 3.346 1.380 1.284) 3.840 1.054 ( 5.126 -1.325 0.087) 5.295 1.241 ( -4.552 -0.259 0.434) 4.580 1.360 ( -3.125 5.934 -0.618) 6.735 1.472 ( -2.754 -0.234 1.135) 2.988 1.534 ( -3.587 -2.990 0.421) 4.689 1.569 ( -1.933 -1.305 0.483) 2.382 1.680 ( 0.583 0.458 0.217) 0.773 1.982 ( 3.330 0.864 -1.002) 3.583 2.050 ( 3.156 2.516 -0.901) 4.135 2.164 ( -2.485 -0.552 2.215) 3.374 2.574 ( 22.173 12.367 3.954) 25.695 2.920 ( -3.609 -1.538 0.492) 3.953 2.946 ( -1.218 0.046 -1.118) 1.654 3.083 ( -1.568 -0.326 -1.294) 2.059 3.229 ( 2.281 1.502 0.089) 2.733 3.368 ( -0.871 1.551 -0.848) 1.970 3.384 ( 1.506 -2.381 0.081) 2.818 3.811 ( -0.333 -5.621 -3.125) 6.440 3.939 ( -13.319 -1.973 -0.758) 13.486 5.176 ( 1.777 3.582 0.579) 4.040 5.555 ( -3.732 -8.585 -0.410) 9.370 5.747 ( 4.678 2.993 -1.278) 5.698 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -1.599 -5.549 -0.218) 5.779 0.973 ( -0.205 3.365 0.333) 3.387 1.150 ( 2.968 2.940 -0.092) 4.179 1.163 ( -3.551 -0.963 0.129) 3.681 1.381 ( 0.728 2.986 -0.583) 3.129 1.421 ( -0.302 -3.151 0.528) 3.210 1.495 ( -1.469 1.852 0.200) 2.372 1.533 ( -0.664 -0.581 -0.385) 0.963 1.709 ( 1.014 1.027 0.127) 1.449 2.009 ( 0.968 -1.389 -0.425) 1.746 2.094 ( -1.316 0.851 0.677) 1.707 2.156 ( 0.850 2.766 -0.265) 2.905 2.849 ( -6.494 2.798 0.173) 7.073 2.923 ( -3.136 4.560 -0.749) 5.585 3.000 ( -2.146 -1.016 -0.504) 2.427 3.014 ( 12.116 -1.210 1.135) 12.229 3.315 ( 4.806 5.373 0.417) 7.221 3.356 ( -2.895 1.608 -0.560) 3.358 3.382 ( 0.680 -2.143 0.267) 2.264 3.715 ( -1.488 -0.856 -0.442) 1.772 3.819 ( 4.546 -5.766 0.319) 7.349 5.217 ( -0.302 0.472 -0.362) 0.667 5.446 ( -1.286 -3.931 0.271) 4.145 5.812 ( 1.719 0.833 0.031) 1.910 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -7.298 -2.463 1.348) 7.819 0.934 ( -8.101 0.270 1.992) 8.347 1.096 ( 1.581 -7.261 -0.705) 7.464 1.209 ( 1.585 2.489 -1.258) 3.208 1.381 ( -3.512 7.117 -0.502) 7.952 1.464 ( 1.203 -0.173 -1.085) 1.629 1.532 ( 1.545 -0.461 -1.496) 2.199 1.533 ( 6.588 1.991 0.890) 6.940 1.713 ( -1.863 0.846 -0.217) 2.058 1.986 ( -0.770 -3.559 -0.069) 3.642 2.050 ( -3.882 -0.429 0.700) 3.968 2.213 ( 1.951 4.341 -1.616) 5.026 2.610 ( -17.644 -7.434 -2.452) 19.303 2.925 ( 2.375 0.677 0.292) 2.487 2.973 ( 1.672 -0.394 -1.282) 2.143 3.111 ( 0.473 0.514 0.486) 0.851 3.264 ( -5.286 -2.128 -1.121) 5.807 3.366 ( 1.286 -1.834 -0.546) 2.305 3.401 ( 1.025 -0.565 0.031) 1.171 3.813 ( 8.092 -5.358 -0.516) 9.718 4.008 ( 12.754 16.008 3.406) 20.749 5.163 ( -4.310 -0.107 -1.303) 4.504 5.474 ( 5.779 -0.773 1.984) 6.159 5.812 ( -1.189 -2.789 0.579) 3.087 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -7.714 0.862 2.788) 8.247 0.760 ( -12.283 -2.182 1.876) 12.615 1.107 ( 6.431 -5.180 0.457) 8.270 1.234 ( -1.734 3.899 -0.163) 4.270 1.391 ( -4.109 7.751 -0.417) 8.783 1.462 ( 1.459 -1.197 -2.832) 3.403 1.548 ( 2.632 -1.296 -0.026) 2.934 1.607 ( -5.810 0.980 -0.543) 5.917 1.737 ( 7.547 3.115 0.291) 8.169 1.927 ( -1.137 -5.500 0.269) 5.622 1.990 ( -2.636 -0.905 -0.405) 2.817 2.238 ( -3.928 -0.472 -1.604) 4.269 2.324 ( -3.660 -3.721 -1.331) 5.386 2.980 ( 2.222 -0.564 0.381) 2.324 3.001 ( 2.444 2.453 -0.851) 3.566 3.097 ( -1.596 -0.849 -0.410) 1.854 3.183 ( -1.538 -2.129 -0.431) 2.662 3.362 ( 0.524 -1.083 -1.161) 1.672 3.399 ( 0.120 -1.196 0.173) 1.215 3.821 ( 0.482 -5.492 -2.938) 6.247 4.367 ( 10.676 15.587 1.330) 18.940 5.117 ( -2.207 2.266 0.357) 3.183 5.603 ( 9.374 -0.389 1.892) 9.571 5.718 ( -5.045 -7.484 -0.933) 9.074 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -7.492 5.763 2.833) 9.868 0.786 ( 1.575 7.273 2.484) 7.846 1.144 ( 7.068 -1.295 -0.488) 7.202 1.228 ( -2.714 -1.390 0.706) 3.130 1.385 ( -10.428 -0.044 -0.397) 10.435 1.458 ( 3.028 1.826 -1.306) 3.769 1.563 ( 3.943 -3.166 1.201) 5.197 1.613 ( -1.584 3.747 0.852) 4.157 1.748 ( -0.523 -6.725 1.041) 6.825 1.909 ( 0.522 3.734 -1.327) 3.997 2.063 ( 4.099 3.233 -0.065) 5.221 2.267 ( -1.157 -4.070 1.846) 4.616 2.355 ( 7.811 15.215 1.820) 17.200 2.976 ( -0.149 -2.246 -0.336) 2.275 2.981 ( 1.379 -2.284 -1.041) 2.864 3.078 ( -0.841 1.374 -0.058) 1.611 3.224 ( 1.080 3.380 -0.321) 3.563 3.363 ( 2.982 0.797 -0.388) 3.111 3.388 ( -0.244 0.250 -0.672) 0.757 3.707 ( 0.160 0.687 -1.830) 1.961 4.427 ( -6.086 -16.324 -4.915) 18.102 5.209 ( 0.281 5.927 -1.277) 6.070 5.349 ( -6.801 -5.349 0.498) 8.666 5.774 ( 5.430 2.234 -0.904) 5.941 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -4.713 6.185 3.218) 8.416 0.855 ( -5.126 4.768 3.005) 7.619 1.169 ( 0.953 1.948 1.208) 2.482 1.206 ( -4.108 -2.520 -1.304) 4.993 1.300 ( 1.873 3.726 0.256) 4.178 1.528 ( 4.358 1.352 -1.044) 4.680 1.588 ( 1.716 -3.530 0.342) 3.940 1.620 ( -0.699 1.470 1.012) 1.916 1.699 ( 0.751 -4.942 0.325) 5.009 1.919 ( -2.056 3.397 -1.475) 4.235 2.101 ( -1.586 -0.990 0.682) 1.990 2.235 ( 1.246 -2.418 0.133) 2.724 2.529 ( -8.434 12.456 2.291) 15.216 2.952 ( 2.021 -2.796 -0.102) 3.452 3.038 ( 4.973 0.531 -0.616) 5.039 3.051 ( -2.189 -0.552 -0.875) 2.421 3.221 ( -3.341 2.111 -0.573) 3.993 3.377 ( -0.601 -0.058 -1.029) 1.193 3.413 ( 0.394 0.508 -0.349) 0.731 3.810 ( 11.231 2.333 -1.880) 11.624 4.116 ( -3.085 -17.028 -7.380) 18.814 5.230 ( -4.044 5.412 3.251) 7.497 5.275 ( -0.067 0.765 -4.005) 4.078 5.828 ( 1.818 -2.181 -0.121) 2.842 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -1.720 5.636 3.494) 6.851 0.769 ( -8.582 3.248 2.413) 9.488 1.091 ( -3.731 -6.056 -0.819) 7.160 1.257 ( 3.276 3.067 1.470) 4.722 1.408 ( 4.128 7.199 -0.217) 8.301 1.555 ( -2.869 -0.121 -0.439) 2.904 1.583 ( 1.804 -2.025 0.098) 2.714 1.637 ( 0.397 3.324 0.161) 3.352 1.697 ( 5.117 -5.365 -0.538) 7.434 1.894 ( -3.375 2.173 -1.224) 4.197 2.029 ( -4.703 -2.661 1.623) 5.642 2.240 ( 0.318 -0.515 -1.646) 1.754 2.338 ( -18.544 -0.096 -1.103) 18.577 2.977 ( 1.853 -1.232 0.580) 2.300 3.010 ( 1.021 -1.671 -0.800) 2.115 3.096 ( 0.712 0.322 -0.503) 0.930 3.179 ( -2.671 0.616 -0.459) 2.779 3.360 ( -0.318 -0.597 -0.970) 1.183 3.393 ( -1.036 -0.890 -0.082) 1.368 3.851 ( 0.438 -2.940 -2.221) 3.710 4.167 ( 14.324 -0.090 -4.540) 15.026 5.215 ( -4.962 3.662 -0.291) 6.173 5.319 ( 4.608 6.001 -0.680) 7.597 5.793 ( -1.353 -6.383 0.788) 6.573 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.577 1.134 1.461) 1.937 0.804 ( 2.017 8.432 2.737) 9.091 0.978 ( -1.454 -7.929 -1.301) 8.165 1.309 ( 0.264 1.025 0.931) 1.409 1.491 ( -2.582 0.905 -0.555) 2.791 1.523 ( 0.605 5.919 -0.580) 5.978 1.572 ( -0.273 -1.956 0.820) 2.138 1.664 ( -2.535 1.902 1.039) 3.335 1.768 ( 6.165 -0.296 -1.329) 6.314 1.826 ( -3.538 -2.295 0.454) 4.242 1.965 ( -0.768 -0.420 -0.417) 0.970 2.116 ( -2.485 -0.779 0.025) 2.604 2.233 ( -0.794 -0.851 -0.296) 1.201 2.971 ( -0.417 -0.598 -0.005) 0.729 3.050 ( 2.278 -0.242 0.039) 2.291 3.065 ( -2.493 -0.359 -0.591) 2.587 3.157 ( 0.305 -0.510 -0.052) 0.596 3.349 ( 0.410 -0.958 -0.561) 1.183 3.382 ( -0.241 0.345 -0.072) 0.427 3.841 ( 0.157 -0.506 -1.481) 1.573 4.273 ( -0.019 0.551 -1.945) 2.022 5.179 ( -2.303 3.160 -0.550) 3.948 5.477 ( 7.078 5.744 -1.111) 9.183 5.692 ( -2.708 -8.005 0.997) 8.509 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 5.795 0.614 -0.519) 5.850 0.888 ( 1.848 -5.604 -1.550) 6.101 0.966 ( 6.253 5.162 1.607) 8.266 1.296 ( -2.697 -0.224 -0.552) 2.762 1.464 ( -2.278 2.828 0.490) 3.664 1.549 ( -2.423 0.473 0.455) 2.510 1.564 ( -4.788 -4.104 0.485) 6.325 1.599 ( -1.877 4.917 -0.095) 5.264 1.697 ( -3.433 -2.854 1.518) 4.716 1.914 ( 5.763 0.399 -0.536) 5.801 2.003 ( 4.217 1.984 -1.146) 4.799 2.211 ( -1.883 -0.163 2.067) 2.801 2.284 ( 20.739 3.033 2.612) 21.121 2.965 ( -0.452 1.073 -0.372) 1.222 2.985 ( -4.762 -0.314 0.190) 4.776 3.091 ( 0.565 0.520 -0.270) 0.814 3.183 ( 3.269 -0.579 0.649) 3.383 3.348 ( 0.675 -0.824 0.079) 1.069 3.383 ( -0.066 0.814 -0.453) 0.934 3.809 ( -2.803 -0.124 -0.533) 2.856 4.159 ( -13.166 -0.747 0.005) 13.187 5.199 ( 0.709 3.338 0.100) 3.414 5.493 ( -1.317 -9.141 -2.220) 9.499 5.697 ( 4.670 3.768 0.592) 6.030 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 3.761 -5.782 -1.363) 7.031 0.923 ( 6.394 -0.080 -2.418) 6.837 1.127 ( 6.354 3.885 1.829) 7.669 1.220 ( -4.646 -1.503 -1.040) 4.992 1.394 ( -5.223 -5.925 0.326) 7.905 1.474 ( -3.415 6.466 0.163) 7.314 1.536 ( -2.420 0.564 -0.318) 2.505 1.588 ( -3.597 2.169 0.996) 4.317 1.688 ( 2.201 -0.291 0.409) 2.257 1.968 ( 2.706 -2.135 0.195) 3.452 2.085 ( 3.528 2.151 -1.215) 4.307 2.192 ( -2.208 0.957 2.029) 3.148 2.700 ( 22.870 -3.461 1.311) 23.168 2.916 ( -3.535 1.059 -0.353) 3.707 2.995 ( 1.713 4.173 0.861) 4.593 3.055 ( -5.187 -1.590 0.246) 5.431 3.250 ( 5.100 -1.252 1.236) 5.395 3.358 ( 0.852 0.266 0.611) 1.082 3.398 ( 0.661 1.842 0.148) 1.963 3.777 ( -3.319 4.196 -0.638) 5.388 3.896 ( -14.909 -0.870 2.412) 15.128 5.238 ( 0.008 2.329 0.559) 2.395 5.385 ( 0.656 -7.782 -2.794) 8.295 5.789 ( 2.478 1.788 0.792) 3.157 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 2.050 -4.886 -0.079) 5.299 0.944 ( 0.580 -5.354 -2.251) 5.837 1.132 ( -7.108 -1.078 0.828) 7.237 1.202 ( 0.632 2.216 -0.262) 2.319 1.380 ( 8.169 -0.571 0.354) 8.196 1.481 ( -3.238 2.296 -0.573) 4.011 1.491 ( -1.362 2.875 -0.975) 3.327 1.576 ( -2.636 4.452 0.388) 5.189 1.719 ( 1.468 -0.227 -0.253) 1.507 1.968 ( 0.175 -3.364 0.650) 3.431 2.097 ( -2.371 -1.339 0.822) 2.845 2.211 ( 1.639 4.121 -1.562) 4.702 2.714 ( -8.216 -17.935 -2.861) 19.933 2.908 ( 0.633 2.109 0.705) 2.312 2.963 ( -2.072 0.726 0.639) 2.287 3.086 ( 3.227 0.697 0.698) 3.375 3.292 ( 1.325 -4.328 0.196) 4.531 3.370 ( -4.652 0.240 0.317) 4.669 3.383 ( 0.110 -0.385 0.243) 0.468 3.702 ( 0.439 0.299 -0.588) 0.793 4.018 ( 9.478 18.916 5.675) 21.905 5.228 ( -3.407 1.015 0.392) 3.577 5.367 ( 5.389 -3.386 -2.071) 6.693 5.807 ( -0.830 -2.199 1.348) 2.710 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -3.762 -2.910 0.660) 4.802 0.931 ( 7.281 -6.211 -1.115) 9.635 0.970 ( -11.901 -0.334 1.873) 12.052 1.251 ( 1.877 2.532 -0.897) 3.277 1.437 ( -1.026 -1.314 -0.730) 1.820 1.495 ( -0.162 4.018 0.140) 4.024 1.524 ( 2.807 0.916 -0.603) 3.014 1.610 ( 3.064 5.041 -0.235) 5.903 1.724 ( -0.774 1.992 -0.841) 2.296 1.919 ( -2.373 -4.877 1.207) 5.557 2.026 ( -4.219 -2.811 -0.440) 5.089 2.262 ( 0.288 2.302 -1.720) 2.888 2.346 ( -10.028 -13.876 -1.032) 17.151 2.958 ( 1.278 1.482 0.807) 2.117 2.977 ( 2.398 2.154 -0.335) 3.241 3.100 ( -0.357 -2.044 -0.056) 2.075 3.205 ( -4.225 -2.602 -0.692) 5.010 3.343 ( 0.106 -0.191 -0.280) 0.355 3.390 ( 0.277 -0.449 0.528) 0.746 3.744 ( 3.384 -1.139 -0.981) 3.703 4.374 ( 8.570 15.859 3.390) 18.342 5.178 ( -3.460 0.421 1.148) 3.669 5.464 ( 8.996 1.302 -1.562) 9.223 5.731 ( -4.854 -6.485 1.003) 8.162 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.149 ( 0.000 -0.000 8.702) 8.702 0.149 ( 0.000 -0.000 8.702) 8.702 0.272 ( 0.000 -0.000 15.957) 15.957 1.214 ( 0.000 -0.000 0.202) 0.202 1.214 ( 0.000 -0.000 0.202) 0.202 1.326 ( -0.000 0.000 -1.970) 1.970 1.733 ( -0.000 0.000 -0.400) 0.400 1.803 ( 0.000 -0.000 0.224) 0.224 1.852 ( -0.000 0.000 -1.465) 1.465 1.852 ( -0.000 0.000 -1.465) 1.465 2.161 ( -0.000 0.000 -1.046) 1.046 2.340 ( -0.000 0.000 -0.243) 0.243 2.340 ( -0.000 0.000 -0.243) 0.243 2.960 ( 0.000 -0.000 0.491) 0.491 2.960 ( 0.000 -0.000 0.491) 0.491 3.075 ( -0.000 0.000 -0.149) 0.149 3.075 ( -0.000 0.000 -0.149) 0.149 3.305 ( 0.000 -0.000 0.230) 0.230 3.467 ( -0.000 0.000 -0.264) 0.264 3.711 ( -0.000 0.000 -1.885) 1.885 3.711 ( -0.000 0.000 -1.885) 1.885 4.915 ( -0.000 0.000 -0.412) 0.412 4.915 ( -0.000 0.000 -0.412) 0.412 6.423 ( 0.000 -0.000 0.109) 0.109 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 7.130 -0.841 7.640) 10.484 0.415 ( 8.691 4.674 8.964) 13.331 0.530 ( 17.544 11.667 5.597) 21.800 1.216 ( 0.593 -0.333 -0.043) 0.681 1.240 ( 1.457 1.385 0.393) 2.049 1.326 ( 1.480 1.030 -2.018) 2.706 1.706 ( -2.319 -2.257 -1.192) 3.448 1.770 ( -2.731 -1.699 0.707) 3.293 1.837 ( -0.141 0.468 -1.737) 1.805 1.893 ( 2.813 1.593 -1.132) 3.425 2.130 ( -1.863 -1.242 -1.072) 2.482 2.266 ( -5.124 -3.811 -0.459) 6.402 2.339 ( 0.054 -1.050 0.126) 1.059 2.994 ( 2.564 0.161 0.322) 2.590 3.048 ( -0.680 -0.103 -0.998) 1.212 3.065 ( -0.110 0.221 -0.145) 0.286 3.128 ( 3.513 0.177 -1.608) 3.867 3.325 ( 1.575 0.759 0.203) 1.760 3.451 ( -1.235 -1.203 -0.522) 1.801 3.673 ( 1.248 -3.074 -3.674) 4.951 4.461 ( 32.416 12.057 -34.966) 49.182 4.945 ( 2.205 3.123 -0.091) 3.824 4.990 ( 7.091 13.764 -4.241) 16.053 6.260 ( -12.483 -6.797 5.286) 15.165 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 7.329 4.562 6.483) 10.796 0.611 ( 7.077 0.888 6.424) 9.599 0.937 ( 17.165 10.171 2.484) 20.106 1.219 ( 0.208 -0.932 -0.086) 0.958 1.284 ( 1.894 1.929 0.043) 2.704 1.371 ( 3.660 2.054 -1.739) 4.543 1.603 ( -5.132 -4.513 -2.032) 7.130 1.701 ( -4.084 -2.746 1.762) 5.227 1.829 ( -0.100 0.190 -0.780) 0.809 1.932 ( 0.069 1.719 -1.037) 2.009 2.076 ( -3.483 -4.060 0.119) 5.351 2.167 ( 1.534 -5.180 -0.707) 5.448 2.333 ( -0.050 -0.819 0.051) 0.822 3.002 ( -0.732 -0.673 -1.159) 1.527 3.048 ( 0.284 0.665 -0.714) 1.016 3.066 ( -0.267 0.213 1.258) 1.304 3.155 ( 1.772 -0.504 -1.238) 2.220 3.353 ( 1.256 -0.322 -0.167) 1.307 3.405 ( -1.919 -1.336 -1.147) 2.604 3.660 ( 1.073 0.959 -3.501) 3.786 4.557 ( 6.613 -7.618 -15.530) 18.519 5.035 ( 4.394 4.014 0.940) 6.025 5.255 ( 7.583 18.047 -8.583) 21.374 6.020 ( -12.740 -7.460 3.873) 15.263 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 8.563 6.665 4.194) 11.633 0.714 ( 2.512 -0.685 3.605) 4.447 1.177 ( -4.429 -3.424 -0.103) 5.599 1.222 ( 6.715 3.570 0.853) 7.652 1.360 ( 6.541 4.610 -0.062) 8.002 1.422 ( 0.248 -0.187 -1.437) 1.470 1.521 ( 3.163 -0.790 -0.833) 3.365 1.618 ( -4.197 -3.003 1.836) 5.478 1.839 ( 1.537 -1.074 0.306) 1.900 1.900 ( -5.984 2.537 0.066) 6.500 1.989 ( 0.684 -6.511 -0.491) 6.566 2.178 ( 3.181 -3.880 -0.933) 5.103 2.315 ( -0.788 -1.342 -0.221) 1.572 2.978 ( -0.434 -0.527 -1.030) 1.236 3.038 ( -1.695 1.749 -0.899) 2.597 3.067 ( -0.409 -0.907 0.919) 1.355 3.167 ( 1.504 -1.473 -0.753) 2.235 3.343 ( -0.047 -1.748 -0.904) 1.968 3.385 ( -0.217 0.867 -0.351) 0.960 3.685 ( 1.242 3.519 -2.060) 4.263 4.497 ( 3.307 -5.091 -9.974) 11.676 5.146 ( 3.900 2.647 2.733) 5.448 5.435 ( 2.172 13.422 -3.789) 14.115 5.784 ( -9.430 -8.221 1.073) 12.556 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.780 -0.878 0.818) 1.431 0.844 ( 8.154 7.073 1.848) 10.951 1.006 ( -9.558 -7.142 -1.499) 12.025 1.271 ( 0.782 -0.216 -0.178) 0.831 1.418 ( 0.952 0.073 0.785) 1.236 1.521 ( 4.646 4.466 -0.155) 6.446 1.537 ( -1.726 -2.349 0.945) 3.064 1.625 ( 4.299 1.651 0.747) 4.666 1.803 ( 0.963 -7.271 -1.355) 7.458 1.850 ( -6.219 4.593 1.106) 7.810 1.966 ( 1.674 -2.913 0.547) 3.404 2.175 ( 1.337 -1.792 -1.639) 2.773 2.293 ( 0.226 -1.610 -0.617) 1.739 2.969 ( -0.458 0.319 -0.146) 0.577 3.035 ( -1.280 3.964 -0.575) 4.205 3.054 ( 1.282 -3.183 0.273) 3.443 3.166 ( 0.618 -1.661 -0.165) 1.780 3.336 ( 0.638 -0.174 -0.235) 0.701 3.388 ( -0.143 0.623 -0.220) 0.676 3.733 ( 1.934 2.271 0.319) 3.000 4.473 ( 3.089 -0.572 -7.529) 8.158 5.215 ( -1.383 2.693 5.114) 5.942 5.545 ( 0.067 10.978 -1.260) 11.050 5.608 ( -1.561 -10.263 -1.433) 10.479 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -3.323 -0.860 -1.153) 3.621 0.764 ( -10.319 -8.122 -2.146) 13.306 1.029 ( 6.994 6.163 -0.188) 9.324 1.267 ( -0.365 -1.323 -0.222) 1.391 1.452 ( 1.507 0.821 2.105) 2.715 1.513 ( -2.929 -1.497 0.282) 3.301 1.538 ( -2.072 -0.306 0.246) 2.108 1.621 ( -2.818 -4.173 0.499) 5.060 1.804 ( 6.059 -5.118 -1.026) 7.998 1.828 ( -2.989 8.718 0.001) 9.216 1.976 ( 0.374 0.179 0.803) 0.904 2.181 ( 1.315 -0.163 -1.446) 1.961 2.287 ( 1.594 -2.014 -0.941) 2.735 2.969 ( 0.484 0.452 -0.198) 0.692 3.048 ( 0.746 0.255 0.271) 0.834 3.063 ( 0.447 -0.125 0.558) 0.726 3.166 ( 0.363 0.782 -0.143) 0.874 3.353 ( 1.011 0.534 0.576) 1.280 3.389 ( -0.164 0.413 -0.154) 0.470 3.781 ( 1.832 -0.590 2.936) 3.511 4.495 ( 3.074 2.753 -6.147) 7.403 5.201 ( -6.591 2.766 3.567) 7.989 5.549 ( 6.388 -10.104 0.378) 11.960 5.631 ( 0.417 9.111 -1.335) 9.218 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -10.164 -7.653 -1.043) 12.766 0.608 ( -5.427 -2.203 -1.896) 6.157 1.165 ( 4.334 3.870 -0.715) 5.854 1.200 ( -7.705 -4.308 0.080) 8.828 1.362 ( -6.341 -5.285 0.005) 8.254 1.472 ( -2.256 -1.722 0.442) 2.872 1.540 ( 1.747 0.987 0.629) 2.103 1.602 ( 2.546 1.982 1.099) 3.409 1.844 ( 2.519 -1.483 0.806) 3.032 1.892 ( 3.247 3.662 -0.792) 4.958 1.994 ( 0.482 3.334 0.034) 3.368 2.175 ( -1.010 -0.407 -1.362) 1.744 2.298 ( 2.877 -2.220 -1.079) 3.791 2.996 ( 2.080 0.997 -0.437) 2.348 3.057 ( -1.783 0.983 0.961) 2.251 3.064 ( 1.604 -2.068 0.290) 2.633 3.183 ( -0.355 1.949 -0.050) 1.982 3.371 ( -0.245 0.194 0.302) 0.435 3.397 ( 1.266 0.354 0.334) 1.356 3.806 ( 0.362 -2.205 4.342) 4.883 4.552 ( 3.949 5.148 -5.940) 8.796 5.112 ( -5.522 -2.246 -0.260) 5.966 5.603 ( 4.251 -2.312 3.338) 5.879 5.720 ( 4.235 5.951 -1.823) 7.528 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -8.026 -7.660 2.341) 11.339 0.463 ( -8.486 -3.934 -0.785) 9.387 0.915 ( -18.173 -10.297 1.546) 20.945 1.221 ( 0.714 0.711 -0.115) 1.014 1.275 ( -2.207 -2.046 -0.420) 3.039 1.398 ( -3.299 -1.701 -0.548) 3.752 1.637 ( 5.913 2.894 0.173) 6.586 1.677 ( 3.394 2.220 0.562) 4.095 1.869 ( 0.676 0.282 0.879) 1.144 1.923 ( -0.266 -0.530 -1.348) 1.473 2.092 ( 5.952 1.849 1.126) 6.333 2.154 ( 0.427 3.286 -1.517) 3.644 2.314 ( 2.178 -2.037 -0.843) 3.099 3.032 ( 1.528 0.898 -0.731) 1.917 3.037 ( -2.014 -0.414 0.292) 2.077 3.066 ( 0.596 -1.063 0.907) 1.520 3.178 ( -1.326 0.161 -0.184) 1.348 3.353 ( -1.503 -0.495 -0.143) 1.589 3.430 ( 1.705 0.522 0.194) 1.794 3.801 ( -1.012 -2.735 3.364) 4.452 4.644 ( 6.614 4.704 -8.233) 11.561 5.006 ( -2.969 -4.469 -1.116) 5.480 5.599 ( -5.240 2.501 -8.554) 10.338 5.882 ( 9.140 4.027 6.551) 11.944 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( -8.183 6.277 6.046) 11.954 0.430 ( 4.111 6.226 10.539) 12.913 0.599 ( -0.332 19.557 6.324) 20.556 1.217 ( -0.739 0.411 -0.161) 0.860 1.239 ( 0.512 1.359 0.505) 1.538 1.314 ( 0.206 1.855 -2.262) 2.932 1.708 ( -1.128 -2.283 -0.953) 2.719 1.760 ( 0.167 -3.552 -0.080) 3.557 1.856 ( 2.431 1.542 -1.948) 3.476 1.864 ( -2.001 2.092 -1.045) 3.077 2.122 ( -0.490 -2.056 -1.359) 2.513 2.280 ( 1.054 -6.291 -0.008) 6.379 2.317 ( -2.657 -1.389 -0.381) 3.022 2.986 ( -1.010 2.191 -0.150) 2.418 3.057 ( 0.543 -1.054 0.141) 1.194 3.077 ( 0.750 0.621 -0.222) 0.999 3.114 ( -2.252 4.714 -1.767) 5.515 3.323 ( 0.109 1.315 0.128) 1.326 3.452 ( -0.406 -1.109 -0.385) 1.242 3.750 ( -6.169 4.240 -1.914) 7.726 4.156 ( 1.149 27.353 -27.466) 38.779 4.927 ( 0.252 2.185 -0.534) 2.263 5.018 ( 5.611 14.092 -4.686) 15.876 6.287 ( 0.369 -12.675 3.589) 13.179 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 7.587 8.564 3.530) 11.973 0.573 ( 3.712 2.231 10.338) 11.208 0.867 ( 7.621 16.457 2.576) 18.318 1.213 ( 0.143 0.103 -0.296) 0.344 1.266 ( 1.434 0.657 0.250) 1.597 1.348 ( 2.202 4.059 -1.856) 4.977 1.623 ( -4.306 -4.523 -1.481) 6.419 1.724 ( -1.331 -3.501 0.772) 3.825 1.843 ( -1.702 0.337 -0.457) 1.794 1.901 ( 2.685 0.761 -2.057) 3.467 2.086 ( 0.195 -1.054 -0.875) 1.384 2.172 ( -6.296 -6.117 0.151) 8.780 2.278 ( 1.250 -3.848 -0.581) 4.088 3.020 ( 1.476 2.168 -0.089) 2.624 3.038 ( -2.307 -0.665 0.028) 2.401 3.064 ( 0.202 -1.011 0.225) 1.055 3.143 ( 0.638 2.986 -1.062) 3.233 3.340 ( 0.298 0.732 -0.390) 0.881 3.422 ( -1.303 -0.687 -0.586) 1.586 3.715 ( -2.772 9.156 -3.008) 10.029 4.246 ( 7.055 -2.975 -16.100) 17.827 4.998 ( 4.651 2.553 0.888) 5.379 5.259 ( 8.828 18.881 -9.958) 23.099 6.127 ( -7.889 -11.880 3.641) 14.718 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 6.568 10.295 2.836) 12.537 0.705 ( 3.734 2.167 6.194) 7.550 1.113 ( 8.665 5.378 0.590) 10.215 1.213 ( -1.153 0.192 0.409) 1.239 1.295 ( 2.813 -0.933 -0.183) 2.969 1.433 ( 2.098 6.213 -0.974) 6.630 1.502 ( -2.921 -3.178 -0.974) 4.425 1.661 ( -3.409 -3.385 1.652) 5.080 1.813 ( -0.903 -2.846 0.041) 2.986 1.925 ( 1.739 -0.203 -2.282) 2.876 2.023 ( -6.360 -0.907 1.203) 6.536 2.132 ( 3.140 2.959 0.234) 4.321 2.266 ( 2.167 -4.239 -1.134) 4.894 2.986 ( -2.216 -0.693 -0.197) 2.331 3.047 ( 0.478 -3.401 0.566) 3.481 3.061 ( 0.131 1.621 -1.102) 1.964 3.164 ( -0.349 2.228 -0.513) 2.312 3.333 ( -0.643 -0.010 -1.126) 1.297 3.406 ( -0.864 0.980 -0.186) 1.319 3.746 ( -3.493 9.706 -2.436) 10.599 4.222 ( 9.835 -11.771 -9.973) 18.296 5.106 ( 5.401 1.640 2.341) 6.111 5.476 ( 5.441 14.423 -7.926) 17.334 5.892 ( -11.137 -9.806 2.795) 15.100 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.213 3.784 2.450) 4.669 0.819 ( 6.028 10.089 1.325) 11.827 1.105 ( -8.757 -3.554 -0.861) 9.490 1.223 ( 2.902 -2.209 0.414) 3.670 1.393 ( 8.603 0.012 0.276) 8.607 1.431 ( 0.612 -0.171 1.168) 1.330 1.549 ( 0.135 1.161 -0.300) 1.206 1.606 ( 0.595 1.257 0.653) 1.536 1.734 ( -2.133 -8.074 -0.429) 8.362 1.949 ( 1.332 2.911 -0.712) 3.280 1.981 ( -3.411 4.005 1.673) 5.521 2.199 ( 0.605 2.372 -0.392) 2.479 2.264 ( -0.619 4.003 -1.642) 4.371 2.967 ( 0.732 -0.802 -0.158) 1.098 3.011 ( -0.369 -3.934 0.582) 3.994 3.067 ( 0.106 1.415 -1.303) 1.926 3.169 ( -0.896 1.717 -0.219) 1.949 3.324 ( 0.208 0.403 -0.643) 0.787 3.403 ( -0.702 0.971 -0.013) 1.199 3.748 ( -1.935 3.321 -1.081) 3.993 4.247 ( 11.327 -10.372 -6.643) 16.734 5.223 ( 6.063 0.693 3.960) 7.275 5.586 ( -2.610 4.705 -6.863) 8.721 5.668 ( -6.834 -1.899 3.135) 7.755 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -4.933 4.461 0.114) 6.652 0.886 ( -11.206 -3.413 -0.758) 11.738 1.005 ( 4.176 8.669 -0.370) 9.629 1.234 ( 1.558 -3.222 0.744) 3.655 1.446 ( 0.984 0.859 0.599) 1.437 1.492 ( 2.089 -4.019 0.416) 4.549 1.549 ( 1.818 -1.922 1.103) 2.866 1.600 ( -0.142 -5.765 -0.372) 5.779 1.685 ( 2.095 0.195 -1.038) 2.346 1.965 ( -4.354 5.681 0.161) 7.159 1.999 ( 0.234 3.565 0.286) 3.584 2.199 ( 1.871 -3.153 -1.490) 3.957 2.283 ( -6.359 12.850 -2.448) 14.545 2.967 ( 0.626 -1.657 -0.203) 1.783 2.989 ( 0.992 -2.483 0.617) 2.744 3.094 ( 0.526 2.383 -0.131) 2.444 3.178 ( 0.237 3.281 -0.589) 3.342 3.342 ( 1.405 0.775 0.202) 1.617 3.400 ( -0.479 0.490 -0.005) 0.685 3.757 ( 2.038 -0.805 1.676) 2.758 4.300 ( 10.883 -9.468 -5.527) 15.448 5.359 ( 7.123 1.045 5.842) 9.272 5.388 ( -9.947 -6.360 -2.604) 12.090 5.708 ( -0.323 7.909 -1.320) 8.025 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -12.434 -1.855 1.082) 12.619 0.713 ( -8.108 3.938 -1.232) 9.097 1.138 ( 4.021 6.583 -1.784) 7.917 1.223 ( -0.248 -3.444 1.318) 3.696 1.376 ( -4.859 -9.008 -0.578) 10.252 1.494 ( 1.694 0.311 0.342) 1.756 1.543 ( -0.070 0.877 0.078) 0.883 1.600 ( -0.736 -0.207 0.195) 0.789 1.725 ( 6.007 -2.724 0.003) 6.596 1.949 ( -3.081 3.798 0.197) 4.894 2.029 ( -0.186 3.756 -1.165) 3.937 2.200 ( 2.556 -2.703 -1.641) 4.066 2.255 ( -6.917 7.866 -3.556) 11.062 2.975 ( 1.622 0.368 -0.363) 1.702 3.001 ( 2.801 -2.450 0.349) 3.738 3.095 ( -1.478 0.580 0.428) 1.644 3.213 ( -0.487 3.247 -0.855) 3.393 3.379 ( 1.122 1.877 0.442) 2.231 3.394 ( -0.470 0.081 -0.328) 0.579 3.821 ( 2.504 2.330 4.027) 5.283 4.352 ( 11.102 -10.004 -6.494) 16.295 5.175 ( -7.546 -5.774 -2.821) 9.912 5.536 ( 8.400 2.729 7.780) 11.771 5.749 ( -1.432 6.038 -2.700) 6.768 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -11.896 1.652 4.289) 12.753 0.582 ( -10.559 0.503 -1.508) 10.678 1.098 ( -11.440 -5.601 1.060) 12.782 1.226 ( 0.278 3.041 -0.614) 3.115 1.267 ( 0.191 -2.840 -0.304) 2.863 1.470 ( -6.707 0.547 -0.653) 6.761 1.552 ( 5.521 -0.155 -0.904) 5.597 1.636 ( 3.702 0.255 0.870) 3.811 1.812 ( 5.695 -1.211 0.441) 5.839 1.940 ( -1.404 1.825 -0.296) 2.321 2.064 ( 2.324 2.660 -0.920) 3.650 2.163 ( -2.690 -0.488 -3.580) 4.505 2.240 ( 2.287 0.784 -1.349) 2.769 3.009 ( 1.940 0.763 -0.558) 2.158 3.026 ( 2.255 -1.709 0.282) 2.843 3.075 ( -1.858 0.287 0.291) 1.903 3.203 ( -1.716 -0.184 -0.571) 1.817 3.374 ( -1.363 -0.139 -0.491) 1.455 3.414 ( 1.055 0.990 -0.147) 1.454 3.869 ( -3.934 3.509 1.957) 5.623 4.403 ( 12.368 -7.847 -9.474) 17.445 5.038 ( -4.342 -1.101 -1.105) 4.613 5.697 ( -4.776 4.245 -2.478) 6.854 5.779 ( 10.202 1.316 4.399) 11.188 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.456 5.461 9.361) 10.847 0.556 ( -10.984 6.189 3.970) 13.218 0.867 ( -7.150 16.276 3.819) 18.182 1.241 ( -1.158 0.742 -0.168) 1.386 1.249 ( -0.189 0.878 0.303) 0.948 1.344 ( -2.649 4.232 -1.848) 5.324 1.654 ( 4.090 -3.008 -1.598) 5.322 1.726 ( 0.709 -3.797 1.241) 4.057 1.828 ( 0.985 0.756 -1.372) 1.850 1.894 ( -1.043 -1.136 -1.436) 2.108 2.121 ( 0.093 1.128 -0.189) 1.147 2.230 ( -0.851 -0.860 -0.194) 1.225 2.319 ( 0.050 -2.020 0.126) 2.024 3.005 ( 0.066 0.458 -1.186) 1.273 3.043 ( 0.014 -0.735 0.575) 0.933 3.072 ( 0.942 1.117 -0.360) 1.505 3.157 ( -0.736 1.400 -0.775) 1.761 3.341 ( -1.163 0.816 -0.261) 1.445 3.435 ( 1.282 -0.692 -0.591) 1.572 3.767 ( 7.095 8.757 -3.065) 11.680 4.340 ( -14.480 0.420 -21.998) 26.339 5.025 ( -8.976 4.344 -0.880) 10.010 5.041 ( 1.549 11.293 -3.035) 11.796 6.120 ( 7.687 -11.588 3.370) 14.309 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -3.823 8.269 4.631) 10.219 0.621 ( 0.936 2.922 8.621) 9.151 0.998 ( -0.313 17.975 2.052) 18.095 1.210 ( -0.606 -1.334 -0.291) 1.494 1.271 ( -0.810 1.955 0.401) 2.154 1.353 ( 0.419 4.916 -1.717) 5.224 1.640 ( -2.102 -3.398 -0.394) 4.015 1.695 ( 0.450 -3.633 0.300) 3.673 1.852 ( 2.258 0.387 -2.201) 3.176 1.865 ( -0.800 -0.999 -1.025) 1.640 2.101 ( -2.456 0.390 -0.572) 2.552 2.137 ( -2.800 -7.922 0.773) 8.438 2.292 ( -2.516 -1.267 -0.303) 2.834 3.005 ( 0.516 0.073 -0.805) 0.959 3.045 ( 0.723 0.008 -0.098) 0.730 3.086 ( -1.224 0.081 0.354) 1.277 3.156 ( 0.019 1.730 -0.776) 1.896 3.343 ( 0.189 0.997 -0.345) 1.072 3.422 ( -0.620 -1.604 -0.604) 1.823 3.802 ( -2.744 3.994 -3.249) 5.834 4.192 ( -2.605 7.778 -14.415) 16.585 4.986 ( -0.437 4.550 0.493) 4.598 5.210 ( 8.251 12.574 -6.721) 16.473 6.085 ( 0.262 -13.227 3.018) 13.569 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 7.186 9.641 3.707) 12.583 0.707 ( 2.650 2.101 6.566) 7.386 1.121 ( -0.495 6.356 0.032) 6.376 1.211 ( 0.834 2.280 -0.277) 2.444 1.274 ( -0.513 0.344 0.705) 0.938 1.433 ( 3.986 6.494 -1.196) 7.713 1.549 ( -5.414 -1.960 0.846) 5.819 1.669 ( -0.586 -3.279 0.594) 3.383 1.819 ( -3.030 -3.102 -0.097) 4.337 1.881 ( 2.716 0.926 -2.375) 3.725 2.043 ( -0.179 -6.366 -0.803) 6.419 2.119 ( 3.834 3.873 1.944) 5.785 2.236 ( -2.629 -1.411 1.232) 3.228 3.003 ( 0.235 -2.225 -0.479) 2.288 3.035 ( -3.289 -1.346 0.067) 3.554 3.064 ( 0.469 1.129 -0.384) 1.282 3.178 ( 0.816 1.531 -0.601) 1.836 3.345 ( -0.730 0.903 -0.760) 1.388 3.406 ( 0.699 -0.964 -0.406) 1.258 3.847 ( 4.075 5.374 -3.072) 7.411 4.067 ( -9.342 1.262 -8.693) 12.823 5.062 ( 3.436 2.658 2.363) 4.945 5.426 ( 9.531 11.184 -8.046) 16.753 5.940 ( -5.375 -12.062 2.414) 13.425 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 4.239 4.057 2.251) 6.285 0.855 ( 5.676 8.868 3.417) 11.069 1.124 ( 0.179 -3.443 -0.706) 3.519 1.239 ( -3.899 1.491 0.867) 4.264 1.274 ( 4.092 0.931 -0.888) 4.290 1.470 ( -3.697 0.154 1.692) 4.069 1.545 ( 2.746 3.608 -0.582) 4.571 1.620 ( -2.407 -2.759 1.016) 3.800 1.715 ( -3.531 -5.481 -0.013) 6.520 1.937 ( 3.221 3.022 -1.258) 4.592 2.025 ( 1.485 -0.331 -0.328) 1.556 2.191 ( -2.310 -1.122 1.709) 3.085 2.331 ( 8.826 13.872 3.314) 16.772 2.960 ( -2.146 -2.143 0.372) 3.056 2.981 ( -0.434 -3.685 -0.272) 3.720 3.069 ( -0.508 0.770 -1.437) 1.708 3.197 ( -0.078 1.839 -0.277) 1.861 3.336 ( -0.942 1.301 -0.769) 1.781 3.411 ( 0.606 -0.497 -0.175) 0.803 3.870 ( -10.886 3.402 -3.423) 11.908 3.950 ( 9.205 -6.506 -4.569) 12.163 5.154 ( 4.504 0.716 3.121) 5.526 5.586 ( 4.223 6.509 -7.945) 11.105 5.757 ( -6.302 -7.187 3.130) 10.058 ======================= Grid point 116 (57/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.406 5.609 0.405) 5.638 0.973 ( -1.202 1.553 0.308) 1.988 1.065 ( -3.052 3.088 -0.562) 4.378 1.197 ( -0.885 -1.947 1.764) 2.772 1.369 ( 7.066 -1.884 -0.136) 7.314 1.451 ( -0.638 0.880 0.487) 1.191 1.522 ( -2.075 -3.831 0.615) 4.400 1.570 ( -1.357 -4.200 -0.117) 4.415 1.681 ( 0.610 1.839 -0.192) 1.947 2.005 ( 2.158 2.531 -0.729) 3.405 2.050 ( -0.147 2.219 0.281) 2.242 2.151 ( -1.539 -1.502 0.430) 2.193 2.573 ( -5.489 22.313 1.250) 23.012 2.919 ( 0.104 -3.268 -0.140) 3.272 2.986 ( 2.131 -0.158 1.490) 2.605 3.060 ( 2.804 -0.823 -1.577) 3.321 3.211 ( -0.439 3.707 -0.141) 3.735 3.336 ( -0.025 1.115 -0.182) 1.130 3.409 ( -0.309 -0.457 -0.100) 0.561 3.745 ( -2.697 -1.938 -0.776) 3.411 3.997 ( 9.783 -11.049 -3.627) 15.197 5.245 ( 4.710 -2.166 2.900) 5.940 5.503 ( -6.478 -2.813 -3.413) 7.843 5.755 ( 1.362 4.813 0.334) 5.014 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -9.977 -0.629 1.437) 10.100 0.886 ( -7.131 4.647 0.647) 8.536 1.132 ( 3.039 6.460 -3.171) 7.812 1.189 ( 1.446 -3.472 2.022) 4.270 1.363 ( -3.021 -6.098 0.088) 6.806 1.462 ( 1.073 -0.146 -0.573) 1.225 1.527 ( 3.908 -0.646 1.759) 4.334 1.544 ( 3.009 -1.574 -1.101) 3.570 1.694 ( -1.073 1.080 -0.561) 1.622 2.030 ( 0.521 -0.399 -1.136) 1.312 2.039 ( -3.965 1.934 0.662) 4.460 2.145 ( 1.484 0.871 -0.789) 1.893 2.542 ( -16.734 12.894 -1.997) 21.220 2.920 ( 2.831 -1.281 -0.205) 3.114 2.978 ( -0.352 -0.533 -0.778) 1.007 3.110 ( 0.723 -0.133 -0.032) 0.736 3.250 ( -1.371 3.602 -1.238) 4.048 3.370 ( 2.450 1.938 0.474) 3.160 3.396 ( -0.098 -0.618 -0.441) 0.765 3.792 ( 7.093 4.156 3.338) 8.873 4.031 ( 11.099 -13.164 -3.941) 17.664 5.207 ( -4.850 -5.507 -1.325) 7.457 5.484 ( 4.972 1.737 2.975) 6.049 5.803 ( -0.557 3.620 -0.671) 3.724 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -10.267 0.424 3.646) 10.904 0.780 ( -11.558 2.400 0.460) 11.813 1.174 ( -1.595 0.823 -0.671) 1.916 1.210 ( 3.409 -4.154 0.178) 5.377 1.274 ( -3.294 3.018 0.052) 4.468 1.471 ( 2.303 -1.355 -1.849) 3.249 1.564 ( 0.357 0.513 -0.285) 0.687 1.591 ( -0.868 -0.387 0.410) 1.035 1.707 ( 5.922 0.436 0.313) 5.947 1.985 ( -3.073 0.515 -1.144) 3.319 2.020 ( 0.446 -3.167 0.332) 3.216 2.184 ( 0.892 2.885 -1.278) 3.279 2.337 ( -13.131 3.076 -3.127) 13.844 2.967 ( 3.179 0.246 -0.372) 3.210 2.987 ( 2.009 0.072 -0.429) 2.056 3.100 ( -1.147 -0.090 -0.182) 1.165 3.219 ( -1.834 -1.323 -0.857) 2.419 3.377 ( -0.239 -1.109 -1.188) 1.643 3.411 ( 0.382 0.561 0.026) 0.679 3.939 ( -0.041 -2.468 0.370) 2.496 4.111 ( 13.379 3.109 -4.542) 14.467 5.095 ( -4.033 -0.059 0.034) 4.034 5.638 ( 10.304 -0.492 4.270) 11.164 5.779 ( -4.185 0.150 -2.904) 5.096 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -3.590 5.840 6.605) 9.520 0.755 ( -3.412 6.245 2.751) 7.629 1.113 ( -9.412 5.102 1.151) 10.768 1.237 ( 2.752 0.554 -0.061) 2.808 1.275 ( -3.315 -1.124 -0.002) 3.501 1.444 ( -1.659 6.855 -1.269) 7.166 1.556 ( 2.421 0.673 -0.916) 2.674 1.670 ( 3.390 -3.215 1.227) 4.831 1.821 ( -0.381 -4.187 1.545) 4.479 1.869 ( -0.254 -0.496 -2.244) 2.312 2.088 ( 3.688 1.389 -1.352) 4.166 2.294 ( 0.768 3.837 -0.010) 3.913 2.315 ( -1.545 4.272 1.015) 4.655 2.989 ( 0.912 -0.281 -0.960) 1.353 3.022 ( 2.653 -0.999 -0.942) 2.988 3.066 ( -0.706 -0.747 0.526) 1.155 3.181 ( -1.287 2.015 -0.711) 2.494 3.365 ( -1.160 0.515 -0.620) 1.412 3.397 ( 2.891 0.820 -0.697) 3.085 3.705 ( 6.369 6.431 -2.278) 9.333 4.346 ( -8.284 -11.372 -14.436) 20.158 5.126 ( -2.905 6.768 0.896) 7.419 5.228 ( -10.286 2.845 -1.410) 10.765 5.911 ( 9.098 -6.896 1.531) 11.518 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -3.945 3.897 5.844) 8.057 0.719 ( -7.061 5.019 3.715) 9.426 1.127 ( 0.648 8.295 -0.095) 8.321 1.206 ( -0.933 -2.367 0.939) 2.712 1.302 ( 1.533 3.811 0.144) 4.110 1.452 ( -5.648 8.488 -1.114) 10.256 1.592 ( 3.335 -1.320 -1.438) 3.864 1.671 ( 0.069 -3.655 1.128) 3.825 1.800 ( 2.648 -4.810 -0.012) 5.490 1.851 ( -0.895 1.034 -1.889) 2.332 2.094 ( -1.706 -3.339 0.122) 3.752 2.245 ( -5.972 -0.021 0.158) 5.975 2.307 ( -5.114 2.092 -1.338) 5.686 2.996 ( 0.668 -0.364 -0.303) 0.819 3.032 ( 0.017 -1.079 -0.262) 1.110 3.081 ( 2.048 0.602 -0.805) 2.281 3.168 ( -1.100 0.610 -0.259) 1.284 3.352 ( -0.577 0.707 -0.628) 1.108 3.410 ( -0.198 -1.147 -0.656) 1.336 3.850 ( -0.754 2.748 -3.180) 4.269 4.126 ( 6.124 -0.547 -11.694) 13.211 5.119 ( -7.903 6.134 0.876) 10.043 5.195 ( 2.256 8.034 -1.559) 8.489 5.948 ( 4.220 -10.057 1.638) 11.029 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -1.159 7.624 2.884) 8.233 0.727 ( 0.703 0.863 5.278) 5.394 1.109 ( -0.583 -5.921 -0.436) 5.966 1.275 ( 1.213 4.686 1.081) 4.960 1.358 ( -3.648 9.552 -0.057) 10.225 1.436 ( -0.407 4.987 -1.251) 5.158 1.613 ( -1.270 1.283 0.012) 1.805 1.636 ( 0.457 -3.513 0.572) 3.589 1.812 ( 2.640 -2.891 -1.206) 4.097 1.838 ( 0.076 -0.062 -0.682) 0.689 2.005 ( -3.325 -4.595 0.435) 5.688 2.131 ( -4.042 -0.061 0.654) 4.095 2.261 ( -0.679 -1.968 0.187) 2.090 2.986 ( -0.549 -0.987 -0.354) 1.183 3.043 ( 1.399 0.502 -1.186) 1.902 3.079 ( -1.674 -1.209 0.244) 2.079 3.164 ( 0.741 0.004 -0.322) 0.808 3.354 ( 0.415 0.489 -0.433) 0.774 3.383 ( -0.554 -1.290 -0.773) 1.603 3.812 ( -0.066 2.026 -4.069) 4.546 4.197 ( -1.166 5.392 -6.057) 8.192 5.102 ( -2.536 5.762 2.459) 6.759 5.335 ( 7.613 8.319 -3.382) 11.772 5.882 ( -0.643 -11.675 1.059) 11.740 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 4.838 1.258 2.244) 5.480 0.832 ( 6.038 6.789 2.490) 9.421 1.051 ( 1.825 -8.057 0.321) 8.268 1.286 ( -2.304 0.951 -0.700) 2.589 1.354 ( -5.027 8.308 -0.115) 9.711 1.515 ( 2.771 3.919 -0.905) 4.884 1.566 ( -4.204 -0.523 1.979) 4.676 1.631 ( -1.304 -1.562 0.731) 2.162 1.748 ( -5.143 -3.322 0.066) 6.124 1.887 ( 5.064 1.381 -0.630) 5.287 1.975 ( 2.566 -0.081 -0.659) 2.650 2.234 ( 6.944 2.084 2.557) 7.688 2.238 ( 5.473 1.293 3.343) 6.542 2.960 ( -1.158 -1.127 -0.607) 1.726 3.005 ( -4.022 -1.586 -0.160) 4.327 3.073 ( 0.500 0.759 -0.547) 1.061 3.189 ( 2.207 0.292 0.097) 2.228 3.359 ( -0.698 1.109 -0.469) 1.392 3.373 ( 1.503 -1.623 -0.623) 2.298 3.810 ( 0.426 -1.002 -3.666) 3.824 4.107 ( -12.037 5.576 -2.724) 13.543 5.148 ( 0.713 3.148 3.485) 4.750 5.506 ( 6.843 5.502 -5.531) 10.378 5.757 ( -2.026 -9.407 1.221) 9.699 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 6.050 1.553 -0.712) 6.287 0.955 ( 2.610 -2.896 0.521) 3.933 1.077 ( 6.012 1.112 2.055) 6.450 1.233 ( -3.486 -0.753 -1.231) 3.773 1.353 ( -3.804 6.499 -0.076) 7.531 1.491 ( -4.554 -2.079 0.974) 5.100 1.541 ( -2.105 -2.299 0.183) 3.123 1.570 ( -1.985 -0.606 -0.258) 2.092 1.690 ( -0.483 0.470 0.928) 1.147 1.974 ( 3.553 1.394 -0.041) 3.817 2.032 ( 3.316 2.058 -0.853) 3.995 2.204 ( -3.228 -0.291 2.269) 3.956 2.652 ( 22.550 11.531 4.903) 25.798 2.920 ( -2.451 -1.717 -1.063) 3.175 2.940 ( -2.306 0.210 0.939) 2.498 3.063 ( -2.596 0.250 -0.960) 2.779 3.237 ( 2.067 2.639 0.896) 3.470 3.355 ( -0.676 1.137 -0.596) 1.451 3.385 ( 1.814 -1.481 0.035) 2.342 3.759 ( -1.882 -2.973 -2.571) 4.358 3.921 ( -11.754 -0.404 -1.557) 11.864 5.211 ( 1.706 1.547 3.557) 4.237 5.497 ( -1.669 -5.659 -5.943) 8.374 5.754 ( 3.392 1.958 1.460) 4.180 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.224 -5.673 1.320) 5.829 0.961 ( 2.417 2.552 -1.506) 3.825 1.151 ( -2.005 3.900 0.201) 4.390 1.164 ( -2.200 -2.479 -0.054) 3.315 1.379 ( 1.175 3.155 0.468) 3.399 1.418 ( 0.602 -3.115 -0.757) 3.262 1.495 ( -2.099 -0.166 -0.164) 2.112 1.537 ( -1.725 0.305 0.632) 1.863 1.709 ( 0.475 1.121 -0.143) 1.226 2.011 ( 0.793 -0.945 0.615) 1.378 2.087 ( 0.915 2.112 -1.144) 2.571 2.161 ( -2.616 0.916 0.551) 2.826 2.857 ( -6.058 -0.480 0.415) 6.091 2.920 ( -5.420 6.856 0.732) 8.770 2.967 ( -1.913 -6.113 -1.992) 6.708 3.041 ( 9.437 3.405 0.719) 10.058 3.321 ( -0.867 6.317 -0.081) 6.377 3.349 ( 0.558 -0.120 0.154) 0.591 3.384 ( -0.364 -1.453 -0.114) 1.503 3.716 ( 5.066 -1.695 0.491) 5.365 3.819 ( 2.153 0.558 -0.346) 2.251 5.231 ( -2.499 -1.348 1.500) 3.212 5.423 ( 2.755 -2.977 -2.021) 4.531 5.820 ( 1.280 1.546 0.537) 2.078 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -6.182 -3.137 2.296) 7.303 0.960 ( -6.970 1.340 1.061) 7.177 1.088 ( 2.130 -8.190 -0.356) 8.470 1.183 ( 1.679 3.490 -1.527) 4.163 1.377 ( -3.330 6.194 -0.090) 7.033 1.449 ( -1.202 -0.382 -0.590) 1.392 1.512 ( 4.582 -0.218 -0.522) 4.617 1.554 ( 4.542 1.429 1.128) 4.893 1.704 ( -2.026 0.725 -0.883) 2.326 1.994 ( -1.239 -2.766 1.014) 3.196 2.053 ( -4.137 -0.562 -0.306) 4.186 2.183 ( 1.877 3.852 -1.906) 4.690 2.578 ( -18.838 -8.220 -1.411) 20.602 2.927 ( 2.552 1.416 -0.090) 2.920 2.958 ( 1.186 0.643 -0.352) 1.394 3.109 ( -0.008 0.623 -0.726) 0.956 3.240 ( -4.425 -1.787 -1.481) 4.997 3.355 ( 0.489 -1.674 -0.781) 1.911 3.404 ( 0.863 -0.192 0.274) 0.925 3.794 ( 6.582 -6.360 -1.547) 9.283 4.051 ( 10.322 17.982 1.261) 20.773 5.168 ( -4.194 1.058 1.602) 4.613 5.491 ( 8.287 -2.950 0.876) 8.840 5.811 ( -2.553 -1.829 -1.018) 3.301 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -4.056 2.508 2.567) 5.416 0.823 ( 1.482 8.040 1.841) 8.380 1.131 ( 8.851 -1.820 -1.135) 9.107 1.239 ( -3.232 -1.291 0.460) 3.511 1.375 ( -9.977 -0.130 -0.740) 10.005 1.447 ( 1.476 2.617 0.251) 3.015 1.584 ( 3.733 -3.362 1.248) 5.176 1.627 ( -1.994 3.878 0.756) 4.426 1.758 ( -0.190 -7.556 0.037) 7.559 1.894 ( 0.129 3.732 -0.411) 3.757 2.047 ( 2.982 3.140 -1.807) 4.692 2.289 ( -0.833 -2.761 0.757) 2.982 2.371 ( 9.437 17.429 -0.013) 19.820 2.963 ( 0.976 -2.380 -0.973) 2.750 2.973 ( -0.659 -1.767 0.067) 1.887 3.079 ( -0.738 0.537 0.014) 0.912 3.215 ( 0.437 3.727 -0.686) 3.815 3.358 ( 2.714 1.215 -0.216) 2.981 3.375 ( -0.554 -0.140 -0.835) 1.012 3.695 ( -1.446 1.681 0.315) 2.240 4.294 ( -8.699 -13.180 -9.798) 18.584 5.219 ( -0.814 2.551 2.404) 3.599 5.367 ( -7.651 -1.720 0.632) 7.867 5.756 ( 6.763 1.130 -0.898) 6.915 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -2.830 3.421 3.766) 5.822 0.901 ( -4.831 5.150 2.236) 7.407 1.172 ( -3.034 0.458 -1.327) 3.343 1.198 ( 1.297 -1.393 0.852) 2.085 1.301 ( 1.673 3.467 -0.303) 3.862 1.509 ( 3.259 2.612 -0.867) 4.265 1.583 ( -0.027 -3.337 -0.892) 3.455 1.636 ( 0.245 -0.143 0.815) 0.863 1.702 ( 0.945 -5.526 -0.008) 5.606 1.904 ( -2.601 3.923 -0.270) 4.714 2.091 ( 0.712 1.050 -1.820) 2.218 2.239 ( -1.059 -4.126 0.332) 4.273 2.539 ( -10.393 12.698 -1.200) 16.453 2.956 ( 2.438 -2.566 0.580) 3.587 3.015 ( 5.062 1.513 -1.446) 5.478 3.043 ( -2.033 -1.875 -0.578) 2.826 3.211 ( -3.062 1.912 -0.646) 3.667 3.358 ( -0.638 -0.173 -1.167) 1.342 3.407 ( 0.529 0.610 -0.320) 0.868 3.796 ( 10.347 4.347 0.200) 11.225 3.974 ( -4.536 -12.569 -8.621) 15.902 5.246 ( -0.695 3.901 1.159) 4.128 5.284 ( -5.418 3.451 2.046) 6.742 5.823 ( 3.417 -3.392 -0.354) 4.828 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.922 2.957 3.468) 4.650 0.807 ( -8.846 2.844 1.846) 9.473 1.078 ( -3.350 -6.461 -0.608) 7.303 1.276 ( 3.343 2.675 0.568) 4.319 1.402 ( 3.854 6.955 -0.353) 7.960 1.536 ( -2.410 0.061 -1.623) 2.907 1.574 ( 2.969 0.765 -1.411) 3.375 1.633 ( 0.137 0.174 -0.280) 0.357 1.697 ( 4.450 -5.455 0.458) 7.055 1.886 ( -3.775 3.124 0.285) 4.908 2.047 ( -4.415 -2.092 0.417) 4.904 2.216 ( 1.467 -1.606 -1.145) 2.458 2.310 ( -18.223 -0.715 -2.228) 18.373 2.989 ( 0.975 -0.796 0.742) 1.461 2.996 ( 1.646 -1.726 -0.807) 2.518 3.083 ( 0.902 0.966 -1.078) 1.705 3.172 ( -2.124 0.188 -0.357) 2.162 3.343 ( -0.073 -0.364 -1.041) 1.105 3.393 ( -1.085 -0.274 0.174) 1.133 3.811 ( -0.227 -0.776 -2.661) 2.781 4.097 ( 14.037 4.546 -3.151) 15.087 5.234 ( -4.721 1.885 3.413) 6.123 5.326 ( 2.049 8.568 0.318) 8.815 5.796 ( -0.370 -7.301 -0.548) 7.331 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -0.801 -1.193 0.980) 1.739 0.843 ( 1.642 6.901 1.781) 7.314 0.963 ( -1.217 -8.988 -0.288) 9.074 1.311 ( -0.362 0.328 -0.806) 0.943 1.481 ( -0.394 1.726 -0.586) 1.865 1.513 ( -1.319 6.005 -0.513) 6.169 1.581 ( 0.451 -2.520 0.164) 2.565 1.673 ( -0.542 2.644 -0.147) 2.702 1.751 ( 6.683 -0.796 -0.417) 6.743 1.836 ( -3.687 -1.788 0.771) 4.170 1.969 ( -2.310 -0.526 0.755) 2.487 2.118 ( 0.479 -1.098 0.159) 1.208 2.237 ( 1.613 -0.940 0.725) 2.003 2.970 ( -0.720 -0.473 -0.057) 0.864 3.048 ( 1.708 1.353 -0.688) 2.285 3.057 ( -1.903 -1.043 -0.025) 2.170 3.157 ( 0.782 -0.367 0.043) 0.864 3.341 ( 0.545 -0.102 -0.412) 0.690 3.381 ( -0.785 0.450 -0.013) 0.905 3.814 ( -0.253 2.318 -1.678) 2.872 4.242 ( 0.195 3.816 -1.282) 4.030 5.212 ( -2.200 1.439 4.322) 5.059 5.457 ( 3.529 7.317 -1.472) 8.256 5.692 ( -1.392 -8.266 -0.957) 8.436 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 5.077 -1.684 -0.775) 5.405 0.870 ( 2.347 -7.768 -0.330) 8.121 0.989 ( 6.279 4.918 0.840) 8.020 1.277 ( -2.783 -0.467 -1.321) 3.116 1.472 ( -2.807 3.221 0.383) 4.289 1.542 ( -0.308 0.651 -1.137) 1.346 1.574 ( -2.203 -3.509 0.278) 4.152 1.598 ( -5.938 2.865 0.184) 6.595 1.720 ( -2.799 -2.170 1.086) 3.704 1.910 ( 6.345 1.064 -0.102) 6.435 1.990 ( 2.971 1.139 -0.120) 3.184 2.248 ( -0.809 -0.272 2.172) 2.333 2.326 ( 22.633 1.761 2.149) 22.803 2.954 ( -1.898 0.786 -0.686) 2.166 2.992 ( -3.163 0.407 0.354) 3.209 3.088 ( 0.372 1.152 -0.000) 1.210 3.195 ( 3.944 -0.412 0.770) 4.039 3.350 ( 0.539 0.256 0.110) 0.607 3.377 ( -0.117 0.923 -0.233) 0.959 3.802 ( -3.306 2.708 -0.280) 4.283 4.159 ( -13.476 2.405 0.358) 13.694 5.240 ( 0.534 1.561 4.271) 4.578 5.434 ( -3.110 -6.225 -4.136) 8.095 5.706 ( 5.287 2.425 0.288) 5.824 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 5.310 -6.703 -0.914) 8.600 0.893 ( 5.648 -2.117 -0.806) 6.086 1.139 ( 6.039 3.059 -0.764) 6.812 1.210 ( -3.146 -0.681 0.193) 3.225 1.397 ( -5.161 -6.511 -0.047) 8.309 1.477 ( -4.991 6.737 0.204) 8.387 1.528 ( -2.274 0.753 -0.650) 2.482 1.592 ( -2.216 2.093 -0.669) 3.121 1.698 ( 1.020 -1.115 0.765) 1.693 1.979 ( 2.730 -1.639 1.042) 3.351 2.056 ( 3.740 1.977 -1.858) 4.621 2.223 ( -3.432 0.050 1.326) 3.680 2.696 ( 18.900 -6.773 -1.650) 20.145 2.914 ( -2.422 1.319 0.129) 2.761 3.005 ( 1.763 3.311 0.039) 3.751 3.068 ( -3.988 0.057 1.362) 4.214 3.267 ( 5.177 -2.212 0.785) 5.684 3.367 ( 0.677 1.694 0.448) 1.879 3.402 ( 1.150 1.915 0.180) 2.241 3.777 ( -6.334 5.523 0.998) 8.462 3.933 ( -12.810 4.617 1.743) 13.728 5.269 ( -0.533 -0.528 0.245) 0.789 5.335 ( 0.549 -4.384 -0.106) 4.419 5.801 ( 3.090 1.625 0.502) 3.527 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.463 -6.911 0.396) 8.236 0.906 ( 0.982 -5.965 -2.056) 6.385 1.141 ( -3.472 -0.128 0.497) 3.510 1.197 ( -3.314 1.258 -0.488) 3.578 1.380 ( 8.576 0.185 -0.402) 8.587 1.475 ( -2.727 5.800 -0.038) 6.410 1.483 ( -2.709 -0.467 -0.035) 2.749 1.578 ( -2.024 3.374 -0.215) 3.941 1.711 ( 0.875 -0.558 -0.644) 1.221 1.986 ( 0.228 -3.287 1.504) 3.622 2.092 ( -1.084 -0.081 -1.356) 1.737 2.186 ( -0.489 2.610 -1.428) 3.015 2.656 ( -6.309 -17.430 -3.958) 18.954 2.918 ( 0.390 2.222 0.415) 2.293 2.978 ( -2.825 0.193 0.947) 2.986 3.095 ( 2.194 0.525 0.449) 2.300 3.289 ( -0.673 -3.928 -0.629) 4.034 3.366 ( -5.445 0.941 -0.400) 5.540 3.393 ( 0.555 0.203 0.630) 0.864 3.706 ( -0.855 1.287 1.129) 1.914 4.086 ( 8.192 20.352 1.995) 22.030 5.257 ( -1.804 3.248 0.885) 3.819 5.341 ( 4.590 -5.712 1.142) 7.416 5.821 ( -1.154 -1.619 0.130) 1.993 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.711 1.846 -0.444) 5.079 0.916 ( 7.597 -0.150 -2.458) 7.986 0.968 ( -0.510 5.953 1.382) 6.132 1.259 ( -1.188 -1.851 0.138) 2.204 1.460 ( -0.966 1.085 1.649) 2.198 1.494 ( -1.780 -2.634 0.388) 3.203 1.543 ( -0.171 -0.634 1.409) 1.555 1.612 ( -3.022 -6.920 -0.080) 7.552 1.732 ( 0.632 -1.852 0.201) 1.968 1.906 ( 2.587 5.329 -0.291) 5.931 2.022 ( 2.632 2.029 -0.881) 3.439 2.281 ( -0.013 -1.502 0.529) 1.592 2.356 ( 11.204 17.019 0.167) 20.376 2.948 ( -1.709 -1.771 -0.365) 2.488 2.984 ( -2.396 -1.550 0.474) 2.893 3.098 ( -0.184 1.817 -0.272) 1.846 3.212 ( 3.759 3.415 0.016) 5.079 3.348 ( -0.665 0.559 0.273) 0.911 3.381 ( -0.588 0.517 -0.446) 0.901 3.768 ( -4.726 1.251 1.765) 5.198 4.282 ( -10.696 -13.235 -6.670) 18.277 5.208 ( 3.208 -3.088 3.998) 5.984 5.464 ( -7.236 -1.742 -1.995) 7.706 5.710 ( 3.909 7.171 -1.017) 8.230 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.195 3.896 0.956) 4.016 0.970 ( 1.480 3.806 0.698) 4.143 1.117 ( 7.773 2.650 -0.781) 8.250 1.205 ( -2.734 -2.722 0.146) 3.861 1.370 ( -7.275 0.808 -0.794) 7.363 1.497 ( 2.388 -3.707 1.207) 4.572 1.508 ( -0.482 -1.893 0.992) 2.191 1.569 ( 2.416 -4.770 -0.310) 5.356 1.718 ( -1.622 -0.075 -0.423) 1.678 1.965 ( -0.233 3.773 0.229) 3.787 2.070 ( 2.094 2.010 -2.249) 3.672 2.232 ( -2.194 -4.225 0.730) 4.817 2.742 ( 8.184 20.247 0.328) 21.841 2.898 ( -0.526 -2.394 -0.286) 2.468 2.959 ( 0.185 -0.848 0.033) 0.868 3.071 ( -3.560 -1.644 -1.124) 4.079 3.281 ( -2.253 4.480 -1.129) 5.140 3.358 ( 1.182 -0.223 -0.763) 1.424 3.384 ( 1.578 1.179 0.098) 1.972 3.719 ( -0.069 -0.257 1.119) 1.150 3.927 ( -9.522 -15.264 -4.231) 18.482 5.258 ( 2.081 -1.796 3.401) 4.373 5.377 ( -2.788 2.465 -0.924) 3.835 5.787 ( 0.962 2.744 -0.914) 3.048 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -2.982 4.238 1.995) 5.552 0.960 ( -5.948 -0.622 1.702) 6.218 1.092 ( -5.428 -4.201 -2.089) 7.174 1.231 ( 4.457 0.839 0.089) 4.536 1.385 ( 5.252 5.865 -0.744) 7.908 1.469 ( 1.641 -4.972 -0.458) 5.255 1.540 ( 1.786 -1.389 0.128) 2.266 1.570 ( 3.748 -2.386 -0.922) 4.538 1.683 ( -2.247 -0.000 -0.231) 2.259 1.973 ( -2.681 2.585 0.774) 3.804 2.085 ( -1.218 -0.063 -1.212) 1.719 2.169 ( -0.162 -2.978 -0.633) 3.049 2.659 ( -24.653 1.490 -3.212) 24.906 2.920 ( 3.501 -1.775 -0.012) 3.926 2.990 ( -0.951 -3.169 0.343) 3.327 3.053 ( 4.968 3.640 -0.235) 6.163 3.229 ( -4.685 1.165 -1.110) 4.953 3.347 ( -0.854 0.761 -0.709) 1.346 3.399 ( -0.065 -1.265 0.266) 1.294 3.774 ( 0.741 -1.916 -1.498) 2.542 3.882 ( 15.788 3.804 1.564) 16.315 5.264 ( 0.262 -4.010 3.051) 5.045 5.403 ( 0.051 7.410 -0.238) 7.414 5.781 ( -2.446 -0.844 -0.261) 2.601 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -6.478 -2.559 0.105) 6.966 0.902 ( -3.257 -3.108 -0.496) 4.529 0.955 ( -4.619 1.193 0.982) 4.870 1.289 ( 2.380 -0.303 -1.338) 2.747 1.458 ( 1.796 -1.387 -0.248) 2.283 1.531 ( 4.916 -0.957 -1.514) 5.232 1.562 ( 3.190 3.733 0.070) 4.911 1.599 ( 2.688 -5.274 -0.108) 5.920 1.676 ( 2.376 3.030 -0.788) 3.931 1.929 ( -5.855 0.062 1.254) 5.988 2.018 ( -3.874 -1.466 0.457) 4.167 2.186 ( 3.339 -0.106 -0.855) 3.448 2.249 ( -18.464 -2.766 -1.287) 18.715 2.965 ( 1.238 -0.745 -0.132) 1.451 2.989 ( 3.789 0.103 0.433) 3.815 3.094 ( -1.116 0.641 0.076) 1.289 3.174 ( -2.769 0.898 -0.338) 2.931 3.347 ( -0.471 1.696 -0.072) 1.761 3.391 ( -0.281 -0.575 0.465) 0.791 3.812 ( 2.391 2.761 -0.522) 3.689 4.166 ( 12.468 3.351 1.347) 12.980 5.237 ( 0.003 -6.178 4.309) 7.532 5.496 ( 1.738 10.084 -1.714) 10.375 5.693 ( -5.999 -2.905 0.113) 6.666 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.052 -3.176 -0.974) 3.323 0.762 ( -1.152 -10.532 -2.095) 10.801 1.001 ( 0.662 7.518 1.393) 7.674 1.287 ( -0.393 -1.224 -1.438) 1.929 1.495 ( 3.275 -0.039 -0.248) 3.284 1.530 ( -2.098 -5.572 0.171) 5.956 1.556 ( 1.207 0.913 -1.053) 1.843 1.646 ( 2.922 -2.955 -1.026) 4.281 1.786 ( -1.315 2.262 0.745) 2.720 1.820 ( -0.003 1.982 -0.107) 1.985 1.979 ( -0.835 -0.077 0.930) 1.252 2.122 ( 4.144 0.946 0.981) 4.362 2.246 ( 2.824 0.634 1.133) 3.109 2.969 ( 0.062 0.573 -0.169) 0.601 3.051 ( -1.135 0.374 0.061) 1.196 3.071 ( 1.300 1.064 0.167) 1.688 3.159 ( 0.108 0.575 0.183) 0.613 3.357 ( -0.189 1.458 0.350) 1.512 3.384 ( -0.280 -0.069 0.139) 0.320 3.855 ( -0.006 2.422 -0.171) 2.428 4.309 ( -0.085 2.971 3.005) 4.227 5.217 ( 2.140 -6.280 2.986) 7.276 5.499 ( -9.285 -0.772 1.727) 9.476 5.662 ( 3.896 6.364 -2.368) 7.828 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.849 -7.921 -1.963) 8.643 0.738 ( 8.430 -4.900 -1.136) 9.817 1.101 ( 3.011 6.259 0.247) 6.950 1.237 ( -2.628 -3.309 -0.702) 4.283 1.407 ( -4.364 -7.359 -0.272) 8.560 1.546 ( 1.733 1.278 -1.343) 2.538 1.577 ( -0.054 2.411 -0.940) 2.588 1.625 ( 0.304 -4.480 -0.849) 4.570 1.713 ( -5.989 4.528 1.116) 7.590 1.919 ( 3.902 -0.340 1.328) 4.136 2.002 ( 3.313 1.558 -1.392) 3.917 2.262 ( 1.092 -0.793 0.740) 1.539 2.346 ( 15.439 -0.713 -0.075) 15.456 2.971 ( -1.698 1.726 -0.136) 2.425 3.019 ( -1.214 1.665 0.194) 2.070 3.101 ( -0.188 -0.352 0.146) 0.424 3.186 ( 2.940 -0.832 0.266) 3.067 3.373 ( 0.595 0.693 0.523) 1.053 3.395 ( 1.015 1.454 0.138) 1.778 3.878 ( 0.331 4.082 0.605) 4.140 4.238 ( -14.659 4.190 4.195) 15.813 5.195 ( 1.402 -6.182 -2.862) 6.955 5.394 ( -4.551 -0.138 7.855) 9.080 5.771 ( 3.571 4.960 -1.857) 6.387 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 5.850 -8.751 -1.464) 10.628 0.811 ( 4.962 -6.215 -2.228) 8.259 1.155 ( 0.020 -0.630 -0.243) 0.676 1.222 ( 4.146 1.463 0.537) 4.430 1.293 ( -2.199 -3.841 -0.651) 4.474 1.535 ( -3.649 0.811 -0.428) 3.762 1.574 ( -2.379 2.544 -0.969) 3.615 1.603 ( 1.624 -2.119 -1.001) 2.851 1.697 ( -1.641 4.182 0.108) 4.494 1.950 ( 1.275 -2.848 2.060) 3.739 2.074 ( 2.946 2.773 -2.275) 4.641 2.229 ( -3.104 0.390 -0.706) 3.207 2.473 ( 6.427 -12.236 -4.183) 14.440 2.958 ( -1.700 2.903 0.496) 3.400 3.028 ( -1.916 0.813 -1.252) 2.429 3.076 ( -0.010 -1.109 1.510) 1.873 3.229 ( 3.260 -1.786 0.322) 3.731 3.390 ( 0.611 0.065 0.454) 0.764 3.416 ( -0.660 -0.222 -0.051) 0.698 3.855 ( -10.841 -1.230 3.353) 11.414 4.190 ( 1.493 18.992 1.420) 19.104 5.166 ( 4.456 -3.548 -3.890) 6.897 5.394 ( -3.591 0.569 9.284) 9.971 5.824 ( 0.080 1.162 -0.591) 1.306 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 9.100 -1.485 -0.593) 9.239 0.736 ( 10.598 3.665 -0.835) 11.244 1.102 ( -5.228 5.072 -0.115) 7.285 1.234 ( 2.090 -3.501 -0.070) 4.078 1.400 ( 4.121 -7.587 0.593) 8.655 1.512 ( -1.499 1.652 2.811) 3.589 1.556 ( -1.551 1.357 1.020) 2.299 1.615 ( 4.703 -1.511 0.441) 4.959 1.728 ( -7.101 -3.197 -0.738) 7.823 1.928 ( 1.050 5.852 0.134) 5.947 1.991 ( 1.737 0.690 -0.012) 1.869 2.260 ( 3.237 1.003 0.923) 3.512 2.340 ( 5.717 7.830 0.639) 9.716 2.973 ( -2.466 -0.032 -0.343) 2.490 3.015 ( -2.329 -1.074 0.650) 2.646 3.101 ( 1.138 0.272 0.098) 1.174 3.187 ( 1.989 2.207 0.079) 2.972 3.375 ( -0.543 1.083 0.325) 1.255 3.396 ( -0.569 1.505 -0.087) 1.611 3.865 ( -2.234 4.459 2.025) 5.383 4.312 ( -12.227 -12.431 -4.577) 18.027 5.142 ( 3.464 -3.188 2.930) 5.545 5.530 ( -5.694 -1.727 -7.153) 9.304 5.738 ( 0.870 7.089 1.803) 7.366 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 8.253 2.129 0.322) 8.529 0.902 ( 6.918 1.552 -1.598) 7.268 1.115 ( -0.317 5.825 1.560) 6.039 1.218 ( -1.076 -1.366 -0.232) 1.754 1.391 ( 3.398 -7.538 0.597) 8.290 1.478 ( -5.901 -1.033 0.331) 6.000 1.520 ( -3.018 -1.719 -0.099) 3.475 1.567 ( -2.608 0.273 2.131) 3.380 1.710 ( 1.594 -0.698 -0.570) 1.831 1.991 ( 1.284 3.180 0.074) 3.430 2.038 ( 2.350 1.730 -0.153) 2.922 2.231 ( -1.889 -3.930 0.357) 4.375 2.656 ( 16.217 9.005 2.839) 18.766 2.919 ( -2.197 -0.578 -0.394) 2.306 2.995 ( -1.733 1.586 1.155) 2.618 3.094 ( -1.319 -1.282 -1.479) 2.360 3.273 ( 5.258 2.704 0.055) 5.913 3.371 ( -1.612 1.813 0.010) 2.426 3.402 ( -1.016 1.339 0.113) 1.685 3.804 ( -8.892 0.106 -1.583) 9.032 3.960 ( -12.819 -10.143 -2.028) 16.472 5.211 ( 4.223 -0.893 4.244) 6.053 5.410 ( -2.722 -0.493 -5.561) 6.211 5.805 ( 0.630 3.505 -0.129) 3.564 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 3.038 4.759 1.363) 5.808 0.954 ( 1.470 -3.157 -1.433) 3.766 1.152 ( -5.776 -2.065 0.108) 6.135 1.162 ( 3.027 -1.102 0.076) 3.222 1.390 ( -2.701 -0.365 -0.095) 2.727 1.408 ( 3.619 1.457 -0.250) 3.909 1.493 ( 0.311 -2.504 0.030) 2.524 1.542 ( -0.950 -0.232 0.254) 1.011 1.707 ( -0.976 -0.161 -0.017) 0.989 2.018 ( -0.309 1.016 0.213) 1.083 2.078 ( 0.779 1.053 -0.510) 1.405 2.163 ( -2.215 -3.318 0.306) 4.001 2.854 ( 3.207 -3.805 0.572) 5.009 2.940 ( 3.745 -4.045 1.295) 5.662 2.955 ( -11.589 -4.778 -3.152) 12.926 3.035 ( 0.660 8.001 1.214) 8.119 3.314 ( -6.285 -2.908 0.349) 6.934 3.358 ( 2.498 0.407 -0.431) 2.567 3.380 ( -0.459 0.314 0.165) 0.580 3.722 ( 6.623 2.880 0.050) 7.222 3.814 ( -5.564 5.973 -0.028) 8.163 5.237 ( -0.719 -3.479 1.159) 3.737 5.419 ( 3.973 4.016 -1.771) 5.920 5.820 ( -1.318 0.751 0.568) 1.619 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -6.509 -5.748 -0.617) 8.705 0.910 ( -5.555 -4.644 -2.258) 7.584 1.079 ( -4.094 4.545 2.805) 6.729 1.222 ( 4.718 -0.339 -1.712) 5.031 1.366 ( 3.067 -5.717 0.007) 6.487 1.458 ( 1.318 -0.027 -0.348) 1.363 1.531 ( 4.127 3.308 0.211) 5.293 1.554 ( 1.777 1.612 -1.275) 2.717 1.684 ( -1.319 -0.438 0.565) 1.500 2.005 ( -2.609 -0.608 1.582) 3.111 2.053 ( -2.139 -2.047 -0.558) 3.013 2.141 ( 1.097 0.889 -0.444) 1.480 2.532 ( -21.167 -10.725 -0.986) 23.749 2.917 ( 3.014 1.765 0.090) 3.494 2.963 ( 1.115 -0.437 0.961) 1.535 3.102 ( 0.741 0.558 0.898) 1.292 3.234 ( -2.952 -0.419 0.643) 3.050 3.376 ( -0.052 1.274 -0.099) 1.279 3.386 ( -0.107 0.423 0.606) 0.747 3.833 ( -1.330 8.863 -0.981) 9.015 3.967 ( 15.953 2.031 3.116) 16.380 5.185 ( -0.311 -6.441 1.241) 6.567 5.528 ( 3.819 7.933 -2.629) 9.189 5.782 ( -4.594 -0.573 2.045) 5.062 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -5.365 -6.810 -1.686) 8.832 0.716 ( -7.429 -8.676 -2.355) 11.663 1.099 ( -2.495 6.770 2.544) 7.651 1.253 ( 1.720 -1.390 -1.989) 2.974 1.368 ( 5.115 -8.708 0.466) 10.110 1.500 ( 3.074 0.566 -0.743) 3.213 1.544 ( -1.982 -1.829 0.142) 2.701 1.607 ( 1.009 0.908 -0.619) 1.492 1.730 ( 5.749 4.525 -0.583) 7.339 1.936 ( -5.457 -0.446 1.529) 5.684 2.015 ( -2.415 0.605 0.759) 2.603 2.181 ( -2.272 -1.144 0.587) 2.610 2.208 ( -4.707 -1.212 1.604) 5.119 2.971 ( 0.777 1.379 0.124) 1.588 3.005 ( 3.982 1.326 -0.113) 4.199 3.096 ( -1.184 -0.804 0.368) 1.478 3.199 ( -2.542 1.017 0.723) 2.832 3.382 ( -1.111 0.461 0.292) 1.238 3.386 ( 0.063 0.670 0.388) 0.777 3.871 ( -1.108 3.714 -1.582) 4.186 4.245 ( 13.289 1.744 5.944) 14.662 5.132 ( 0.872 -7.826 2.106) 8.151 5.641 ( 0.642 9.501 -4.267) 10.435 5.692 ( -6.068 -0.236 3.448) 6.983 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -0.007 -10.980 -3.309) 11.468 0.598 ( 0.829 -5.595 -0.781) 5.710 1.146 ( -0.223 5.702 1.398) 5.875 1.216 ( -1.103 -7.232 -1.655) 7.501 1.361 ( 2.543 -8.995 0.150) 9.349 1.470 ( 0.237 -4.134 0.526) 4.174 1.560 ( 2.130 2.161 -1.644) 3.451 1.620 ( -0.650 2.660 -0.972) 2.906 1.855 ( 0.990 1.544 -0.247) 1.851 1.874 ( -1.188 4.478 1.401) 4.840 1.996 ( -1.221 2.626 -0.156) 2.900 2.147 ( 3.571 -0.697 1.742) 4.034 2.279 ( 3.810 1.568 1.110) 4.267 2.991 ( 0.241 1.871 0.118) 1.890 3.060 ( -1.169 -0.118 0.183) 1.189 3.075 ( 2.003 -0.187 -0.595) 2.097 3.178 ( -1.395 0.668 0.437) 1.607 3.370 ( -0.248 -0.533 0.319) 0.669 3.400 ( 0.407 1.607 0.048) 1.658 3.863 ( 1.223 -0.613 -2.048) 2.463 4.435 ( 0.254 4.721 7.561) 8.918 5.099 ( 2.401 -7.102 1.117) 7.579 5.544 ( -9.360 -1.114 7.685) 12.162 5.769 ( 2.753 9.495 -5.249) 11.193 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 4.185 -9.161 -1.777) 10.227 0.611 ( 8.767 -7.922 -2.233) 12.025 1.090 ( 0.518 -12.514 -1.056) 12.569 1.206 ( 1.495 3.929 0.355) 4.219 1.299 ( -1.944 -3.726 -0.023) 4.203 1.475 ( 4.528 -6.757 0.344) 8.141 1.587 ( -1.181 3.738 -2.030) 4.414 1.628 ( -1.473 3.869 -0.542) 4.176 1.815 ( -4.677 4.023 0.412) 6.183 1.932 ( 0.814 -0.727 2.183) 2.441 2.051 ( 2.691 6.739 -2.035) 7.536 2.207 ( 4.838 -4.010 -2.073) 6.617 2.323 ( 0.091 -1.035 -0.258) 1.070 3.008 ( -1.050 1.842 0.492) 2.177 3.037 ( -0.161 0.372 -0.601) 0.725 3.081 ( -0.598 -1.178 -0.306) 1.356 3.182 ( 1.419 -0.253 0.374) 1.489 3.371 ( 0.998 -1.111 0.257) 1.515 3.423 ( 0.215 1.300 -0.096) 1.322 3.902 ( 3.370 -2.080 -1.091) 4.108 4.422 ( -9.646 11.060 3.836) 15.168 5.078 ( 1.158 -3.926 -1.627) 4.405 5.500 ( -2.317 -1.975 14.315) 14.635 5.843 ( 0.168 6.922 -4.819) 8.436 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 -0.000 7.344) 7.344 0.283 ( 0.000 -0.000 7.344) 7.344 0.520 ( 0.000 -0.000 13.630) 13.630 1.219 ( 0.000 -0.000 0.400) 0.400 1.219 ( 0.000 -0.000 0.400) 0.400 1.285 ( -0.000 0.000 -2.663) 2.663 1.723 ( -0.000 0.000 -0.732) 0.732 1.804 ( -0.000 0.000 -0.170) 0.170 1.820 ( -0.000 0.000 -2.266) 2.266 1.820 ( -0.000 0.000 -2.266) 2.266 2.138 ( -0.000 0.000 -1.579) 1.579 2.334 ( -0.000 0.000 -0.471) 0.471 2.334 ( -0.000 0.000 -0.471) 0.471 2.971 ( 0.000 -0.000 0.783) 0.783 2.971 ( 0.000 -0.000 0.783) 0.783 3.072 ( 0.000 0.000 -0.273) 0.273 3.072 ( -0.000 0.000 -0.273) 0.273 3.310 ( 0.000 -0.000 0.354) 0.354 3.462 ( -0.000 0.000 -0.392) 0.392 3.674 ( -0.000 0.000 -2.328) 2.328 3.674 ( -0.000 0.000 -2.328) 2.328 4.903 ( -0.000 0.000 -1.069) 1.069 4.903 ( -0.000 0.000 -1.069) 1.069 6.426 ( 0.000 -0.000 0.165) 0.165 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 9.295 -4.408 6.565) 12.203 0.537 ( 8.102 13.270 5.599) 16.525 0.657 ( 9.881 2.904 8.749) 13.514 1.217 ( 0.512 -0.641 0.192) 0.842 1.245 ( 1.171 1.395 0.101) 1.825 1.290 ( 1.859 1.269 -2.063) 3.053 1.682 ( -3.017 -2.911 -1.646) 4.504 1.775 ( -1.399 -1.651 -0.312) 2.187 1.811 ( -0.034 1.942 -1.244) 2.306 1.868 ( 3.551 1.387 -1.615) 4.141 2.111 ( -0.876 -1.123 -1.052) 1.771 2.257 ( -5.499 -3.292 -0.508) 6.429 2.336 ( 0.575 -1.636 -0.431) 1.787 2.999 ( 1.798 -0.186 0.310) 1.834 3.029 ( 0.008 0.716 -1.114) 1.324 3.066 ( 0.325 1.322 0.315) 1.397 3.105 ( 3.484 -0.262 -1.165) 3.683 3.328 ( 1.277 0.740 0.138) 1.482 3.441 ( -1.554 -1.617 -0.577) 2.315 3.621 ( 0.805 -3.152 -2.258) 3.959 4.038 ( 23.906 14.919 -17.164) 32.995 4.939 ( 2.902 3.851 -0.668) 4.868 4.959 ( 5.934 5.705 -1.140) 8.310 6.311 ( -10.245 -5.552 1.720) 11.779 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 7.697 0.858 4.988) 9.212 0.715 ( 3.174 2.579 5.938) 7.210 0.979 ( 15.923 8.612 2.143) 18.229 1.220 ( 0.281 -0.901 0.248) 0.976 1.282 ( 1.614 1.820 -0.249) 2.446 1.343 ( 4.088 2.149 -1.472) 4.847 1.572 ( -4.874 -4.167 -1.393) 6.562 1.723 ( -3.226 -2.270 0.701) 4.007 1.824 ( 0.724 0.697 0.011) 1.005 1.906 ( 0.585 1.221 -1.892) 2.326 2.083 ( -4.086 -3.469 0.729) 5.410 2.152 ( 1.880 -4.507 -1.052) 4.995 2.328 ( 0.647 -2.006 -0.570) 2.184 2.989 ( -1.781 -0.038 -0.420) 1.831 3.031 ( 0.259 0.072 -1.205) 1.234 3.086 ( -0.051 0.763 1.088) 1.330 3.137 ( 2.081 -0.486 -0.846) 2.299 3.349 ( 0.997 -1.006 -0.295) 1.446 3.389 ( -1.964 -0.890 -0.549) 2.225 3.620 ( 1.299 1.263 -1.249) 2.201 4.274 ( 10.862 1.031 -16.408) 19.704 5.048 ( 5.352 5.247 0.436) 7.508 5.169 ( 9.287 12.178 -3.059) 15.618 6.069 ( -13.405 -7.430 2.331) 15.502 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 7.935 3.638 2.440) 9.064 0.768 ( -0.356 -0.101 2.850) 2.874 1.169 ( -4.800 -3.993 -1.002) 6.324 1.233 ( 4.854 2.608 0.704) 5.555 1.359 ( 6.600 5.697 -0.056) 8.719 1.411 ( 1.472 1.082 -0.054) 1.828 1.517 ( 4.435 -1.396 0.537) 4.681 1.644 ( -4.240 -2.570 1.230) 5.109 1.837 ( 0.611 -2.393 -0.594) 2.540 1.899 ( -3.130 3.439 -0.731) 4.707 1.983 ( -0.948 -4.269 0.225) 4.379 2.162 ( 2.447 -4.400 -0.808) 5.100 2.306 ( -0.083 -2.883 -0.885) 3.017 2.969 ( -0.241 -0.035 0.040) 0.247 3.019 ( -1.430 1.779 -1.228) 2.592 3.081 ( -0.733 -1.397 0.693) 1.723 3.157 ( 1.535 -0.864 -0.351) 1.796 3.333 ( 0.236 -1.966 -0.216) 1.992 3.379 ( -0.323 1.302 -0.344) 1.385 3.668 ( 2.329 3.570 0.125) 4.265 4.314 ( 5.389 -0.473 -10.813) 12.091 5.189 ( 5.519 4.538 2.097) 7.446 5.373 ( 5.615 10.071 -3.819) 12.146 5.809 ( -11.629 -7.913 2.086) 14.219 ======================= Grid point 188 (92/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -2.322 -1.176 0.197) 2.610 0.862 ( 6.624 4.823 0.356) 8.202 0.984 ( -9.811 -6.269 -1.013) 11.687 1.271 ( 0.605 -0.243 0.479) 0.809 1.441 ( 2.008 0.101 1.695) 2.630 1.515 ( 3.240 5.702 -0.391) 6.569 1.558 ( -0.898 -2.807 1.314) 3.227 1.640 ( 4.792 0.657 1.056) 4.951 1.780 ( 0.276 -6.444 -1.461) 6.613 1.859 ( -5.867 3.234 -0.062) 6.700 1.978 ( 1.372 -1.177 0.701) 1.939 2.144 ( 1.396 -2.605 -1.775) 3.447 2.277 ( 0.894 -3.017 -1.254) 3.387 2.968 ( -0.662 0.532 0.070) 0.852 3.029 ( 0.211 3.518 -0.127) 3.527 3.058 ( 0.436 -2.694 0.195) 2.736 3.162 ( 0.756 -1.442 -0.225) 1.643 3.334 ( 1.072 -0.103 0.020) 1.077 3.384 ( -0.275 1.057 -0.230) 1.116 3.751 ( 3.583 2.573 1.734) 4.740 4.341 ( 3.970 1.665 -7.402) 8.562 5.297 ( -0.769 4.564 3.796) 5.986 5.481 ( 3.350 3.693 -5.134) 7.157 5.621 ( -4.351 -4.877 2.285) 6.924 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -3.825 -1.426 -0.219) 4.088 0.744 ( -10.492 -6.640 -0.075) 12.416 1.021 ( 6.521 4.729 -0.847) 8.100 1.269 ( -0.781 -0.839 0.617) 1.302 1.482 ( 2.051 -1.032 1.338) 2.658 1.524 ( -4.156 -1.252 0.817) 4.417 1.543 ( -1.092 -0.713 0.431) 1.373 1.631 ( -2.071 -4.333 0.724) 4.857 1.793 ( 5.882 -3.216 -0.353) 6.713 1.824 ( -2.401 6.688 -0.387) 7.116 1.985 ( -0.207 0.157 0.204) 0.330 2.149 ( 2.671 -1.951 -2.089) 3.912 2.267 ( 2.092 -2.763 -1.337) 3.715 2.967 ( 0.360 0.407 0.026) 0.544 3.051 ( 0.258 0.753 0.080) 0.800 3.070 ( 1.350 -0.059 0.261) 1.376 3.163 ( 0.595 0.216 -0.209) 0.667 3.359 ( 1.349 0.746 0.155) 1.549 3.386 ( -0.194 0.530 -0.193) 0.597 3.830 ( 2.712 0.542 2.605) 3.799 4.385 ( 3.693 2.833 -6.140) 7.705 5.242 ( -7.698 -1.751 0.599) 7.917 5.536 ( 2.896 3.208 -2.282) 4.887 5.626 ( 3.636 1.386 1.434) 4.147 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -7.081 4.534 5.881) 10.261 0.579 ( 6.016 11.931 6.802) 14.993 0.710 ( -2.299 9.346 6.829) 11.801 1.216 ( -0.885 -0.098 0.084) 0.895 1.246 ( 0.594 1.419 0.378) 1.584 1.277 ( 0.229 2.207 -1.968) 2.966 1.689 ( -1.196 -2.361 -1.285) 2.942 1.751 ( -0.051 -2.587 -0.972) 2.764 1.821 ( 1.891 1.459 -2.135) 3.203 1.849 ( -1.224 2.786 -0.589) 3.100 2.101 ( -0.659 -1.499 -1.018) 1.928 2.275 ( 1.342 -5.505 -0.479) 5.687 2.312 ( -2.909 -1.511 -0.279) 3.290 2.985 ( -0.471 1.090 0.107) 1.193 3.057 ( 0.879 -0.700 -0.656) 1.301 3.070 ( 1.917 2.837 -0.168) 3.428 3.093 ( -3.229 3.768 -0.730) 5.016 3.325 ( 0.130 0.902 0.158) 0.925 3.445 ( -0.433 -1.191 -0.452) 1.345 3.706 ( -7.818 4.186 -3.147) 9.410 3.851 ( 6.230 18.300 -11.063) 22.273 4.917 ( 0.857 3.020 -0.708) 3.218 4.969 ( 1.952 8.928 -2.023) 9.360 6.323 ( 0.276 -10.396 1.267) 10.477 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 6.106 7.017 5.115) 10.615 0.729 ( 1.900 0.675 8.103) 8.350 0.896 ( 7.046 14.861 0.723) 16.462 1.212 ( 0.522 -0.064 0.312) 0.611 1.270 ( 1.010 0.867 0.178) 1.343 1.320 ( 2.438 4.379 -1.448) 5.217 1.604 ( -4.549 -3.483 -0.646) 5.766 1.726 ( -0.209 -2.680 -0.425) 2.722 1.837 ( -0.353 1.518 -0.699) 1.708 1.866 ( 1.556 -0.819 -1.470) 2.292 2.085 ( 0.875 0.376 0.733) 1.202 2.174 ( -5.145 -6.433 -0.039) 8.237 2.275 ( 0.105 -2.760 0.204) 2.770 3.011 ( 1.646 0.957 -0.809) 2.068 3.045 ( -3.941 1.018 0.659) 4.123 3.063 ( 1.430 -1.801 -0.429) 2.340 3.130 ( 0.975 3.270 -0.353) 3.431 3.334 ( -0.075 0.063 -0.189) 0.213 3.415 ( -1.225 -0.497 -0.252) 1.345 3.677 ( -2.023 8.618 -1.321) 8.950 4.011 ( 7.991 1.601 -11.747) 14.298 5.013 ( 5.349 4.077 0.932) 6.790 5.133 ( 7.611 14.681 -5.800) 17.524 6.168 ( -7.558 -11.236 1.569) 13.632 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.005 9.774 3.147) 11.422 0.793 ( 0.951 0.615 3.970) 4.129 1.113 ( 7.706 3.661 -0.509) 8.546 1.226 ( -0.721 0.549 1.014) 1.359 1.290 ( 2.996 -0.952 -0.305) 3.158 1.421 ( 3.478 7.697 -0.460) 8.459 1.502 ( -3.476 -2.677 1.018) 4.504 1.681 ( -2.570 -3.023 0.710) 4.030 1.814 ( -1.565 -3.766 -0.075) 4.079 1.882 ( 2.449 1.311 -2.582) 3.793 2.049 ( -4.799 -1.797 1.713) 5.403 2.152 ( 1.817 4.987 2.097) 5.707 2.255 ( 0.821 -3.497 -0.137) 3.595 2.989 ( -2.451 -0.611 0.463) 2.568 3.038 ( -0.086 1.716 -1.505) 2.284 3.054 ( 0.687 -3.810 0.201) 3.877 3.160 ( -0.097 2.086 0.004) 2.089 3.323 ( -0.591 -0.415 -0.069) 0.726 3.403 ( -0.827 1.083 -0.161) 1.372 3.721 ( -2.850 8.620 -0.420) 9.089 4.065 ( 11.245 -7.396 -8.375) 15.852 5.141 ( 5.841 3.224 1.786) 6.906 5.351 ( 6.920 12.912 -7.025) 16.246 5.932 ( -10.728 -9.593 2.032) 14.534 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -3.206 3.543 1.134) 4.911 0.833 ( 4.388 8.460 0.229) 9.533 1.087 ( -7.828 -3.039 -1.075) 8.466 1.243 ( 2.170 -1.598 1.786) 3.233 1.396 ( 8.239 0.001 0.030) 8.239 1.462 ( 1.265 -0.897 2.343) 2.810 1.545 ( 1.764 2.850 -0.119) 3.354 1.618 ( -1.141 -0.901 0.697) 1.612 1.724 ( -2.393 -7.479 -0.804) 7.893 1.928 ( 1.242 3.868 -1.607) 4.369 2.016 ( -2.483 2.767 2.059) 4.250 2.199 ( -0.363 -0.408 0.276) 0.612 2.250 ( -3.972 8.487 0.160) 9.372 2.971 ( 0.460 -1.164 0.627) 1.400 3.015 ( -0.767 -2.172 -0.286) 2.321 3.051 ( 1.427 0.096 -0.213) 1.446 3.167 ( -0.888 1.518 -0.002) 1.759 3.320 ( 0.487 0.269 0.120) 0.570 3.401 ( -0.637 1.071 -0.172) 1.258 3.743 ( -0.006 2.388 0.557) 2.452 4.143 ( 11.436 -7.526 -5.411) 14.720 5.280 ( 7.530 1.560 2.839) 8.198 5.457 ( -0.828 5.268 -8.253) 9.826 5.727 ( -7.696 -2.763 3.494) 8.892 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -5.995 4.345 0.070) 7.404 0.886 ( -9.905 -1.491 0.760) 10.045 0.985 ( 2.946 6.693 -1.880) 7.550 1.259 ( 0.983 -2.500 1.983) 3.338 1.454 ( 0.622 -0.733 0.322) 1.014 1.506 ( 1.611 -5.045 1.282) 5.449 1.561 ( 4.022 -0.320 0.315) 4.047 1.597 ( -1.953 -6.809 0.018) 7.084 1.673 ( 2.549 0.468 -0.370) 2.618 1.952 ( -3.121 5.753 -1.297) 6.672 2.014 ( -1.745 2.351 0.888) 3.060 2.183 ( 1.597 -3.420 -0.414) 3.797 2.249 ( -8.734 13.373 -1.259) 16.022 2.964 ( 0.521 -1.803 -0.076) 1.879 2.993 ( 1.102 -2.558 -0.050) 2.785 3.094 ( 0.813 2.301 0.076) 2.441 3.172 ( -0.198 2.780 -0.106) 2.789 3.345 ( 1.641 1.117 0.180) 1.993 3.397 ( -0.575 0.369 -0.299) 0.746 3.789 ( 4.043 -0.397 1.965) 4.513 4.213 ( 9.879 -8.188 -4.387) 13.560 5.319 ( -6.957 -6.513 -4.932) 10.730 5.446 ( 7.828 3.324 4.067) 9.427 5.696 ( -2.787 6.489 -0.225) 7.066 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -9.434 5.935 1.716) 11.277 0.636 ( 0.163 4.704 8.674) 9.868 0.920 ( -6.259 12.740 2.095) 14.348 1.242 ( -2.057 -0.339 0.188) 2.094 1.251 ( 0.895 2.201 0.073) 2.377 1.317 ( -3.062 4.581 -1.318) 5.666 1.624 ( 4.256 -2.800 -1.736) 5.383 1.736 ( 0.184 -2.858 -0.166) 2.869 1.811 ( -0.591 1.354 -0.668) 1.621 1.873 ( -0.539 -1.540 -0.875) 1.851 2.119 ( -0.481 1.128 0.018) 1.226 2.214 ( 0.727 0.352 -1.657) 1.844 2.317 ( -0.924 -2.340 -0.412) 2.550 2.990 ( 0.431 0.057 -0.606) 0.745 3.053 ( 0.119 -0.631 0.553) 0.848 3.060 ( 0.604 1.123 -0.932) 1.579 3.145 ( -0.847 1.963 -0.582) 2.215 3.338 ( -0.926 0.462 -0.107) 1.040 3.424 ( 1.442 -0.748 -0.632) 1.743 3.718 ( 6.346 8.484 -2.479) 10.880 4.027 ( -13.283 4.448 -14.580) 20.219 5.006 ( -6.120 6.847 -0.110) 9.184 5.039 ( -3.355 6.799 0.136) 7.583 6.161 ( 7.624 -11.358 1.729) 13.789 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -2.897 7.108 3.741) 8.539 0.756 ( 1.349 0.592 7.038) 7.191 1.012 ( -0.584 16.730 -0.325) 16.744 1.211 ( -0.932 -0.883 0.372) 1.336 1.280 ( -0.637 1.954 0.549) 2.128 1.327 ( 0.494 5.244 -1.225) 5.407 1.623 ( -0.398 -2.633 -1.765) 3.195 1.700 ( -0.644 -2.649 0.353) 2.749 1.820 ( 0.960 0.480 -1.376) 1.745 1.856 ( 0.285 -1.444 0.004) 1.471 2.102 ( -1.505 0.133 0.623) 1.634 2.141 ( -3.096 -6.196 -0.361) 6.935 2.292 ( -0.921 -1.101 0.270) 1.461 2.995 ( 0.472 -0.055 -0.370) 0.603 3.033 ( 0.229 -0.420 -1.261) 1.348 3.094 ( -0.088 0.138 0.539) 0.563 3.144 ( -0.283 2.093 -0.641) 2.207 3.340 ( 0.109 0.735 0.009) 0.743 3.410 ( -0.441 -1.884 -0.841) 2.110 3.733 ( -1.734 3.437 -4.574) 5.979 4.007 ( -0.499 11.470 -7.319) 13.615 5.003 ( 0.473 6.135 1.391) 6.308 5.138 ( 3.591 11.173 -2.476) 11.994 6.117 ( 0.265 -13.136 0.934) 13.171 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 7.413 8.508 4.294) 12.074 0.792 ( 0.913 -0.205 3.158) 3.293 1.119 ( -0.989 7.372 -0.056) 7.438 1.211 ( 1.334 0.198 0.353) 1.394 1.280 ( -1.573 0.630 -0.047) 1.695 1.418 ( 4.340 6.654 -0.560) 7.964 1.565 ( -4.035 -0.052 0.689) 4.094 1.673 ( 0.002 -2.967 0.018) 2.967 1.810 ( -1.717 -3.041 -0.843) 3.592 1.859 ( 1.160 1.491 -0.112) 1.893 2.035 ( -0.076 -6.751 -0.184) 6.754 2.169 ( 5.596 5.081 3.750) 8.438 2.263 ( -2.432 -0.668 1.925) 3.172 2.993 ( 0.516 -2.044 -0.559) 2.181 3.025 ( -0.654 -1.040 -1.257) 1.758 3.065 ( -2.319 0.212 0.427) 2.367 3.171 ( 1.044 1.643 -0.231) 1.960 3.339 ( -1.045 0.696 0.040) 1.256 3.398 ( 1.295 -1.241 -0.574) 1.883 3.783 ( 6.216 2.502 -4.403) 8.017 3.966 ( -10.016 6.273 -2.961) 12.184 5.107 ( 3.652 3.957 2.867) 6.100 5.312 ( 7.230 11.771 -5.583) 14.900 5.963 ( -4.750 -12.182 0.411) 13.082 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.177 2.067 0.229) 3.011 0.903 ( 4.585 8.112 2.174) 9.568 1.125 ( -1.625 -1.502 0.842) 2.368 1.240 ( -0.810 -0.977 -1.266) 1.793 1.266 ( 3.639 1.448 0.790) 3.995 1.500 ( -2.215 0.427 1.313) 2.610 1.540 ( 1.166 2.879 0.307) 3.121 1.636 ( -2.429 -3.025 0.775) 3.956 1.710 ( -3.390 -4.320 -0.480) 5.512 1.919 ( 3.181 3.777 -0.900) 5.019 2.027 ( 2.453 -1.391 0.819) 2.936 2.221 ( -3.687 -0.499 1.643) 4.068 2.406 ( 7.143 15.671 5.334) 18.029 2.971 ( -2.183 -2.014 0.676) 3.046 2.977 ( 1.418 -4.402 0.094) 4.625 3.046 ( -1.416 0.904 -1.249) 2.093 3.196 ( -0.080 2.132 0.148) 2.138 3.331 ( -0.822 0.969 0.186) 1.285 3.407 ( 0.860 -0.502 -0.248) 1.026 3.826 ( -5.605 -2.445 -1.442) 6.282 3.883 ( 5.107 0.296 -3.380) 6.131 5.210 ( 4.338 1.570 3.370) 5.713 5.453 ( 2.653 6.314 -7.787) 10.371 5.798 ( -4.123 -6.195 1.761) 7.647 ======================= Grid point 207 (103/125) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.886 4.655 -1.304) 4.915 0.976 ( -2.667 3.039 -0.217) 4.049 1.066 ( -5.263 2.699 0.850) 5.976 1.222 ( 0.828 -2.815 1.109) 3.136 1.373 ( 7.944 -1.940 0.595) 8.199 1.460 ( -2.192 -1.270 0.579) 2.598 1.534 ( -2.122 -3.164 0.742) 3.882 1.566 ( -0.303 -3.886 -0.319) 3.911 1.681 ( -0.437 1.804 0.074) 1.858 1.990 ( 1.484 3.484 -1.048) 3.929 2.061 ( 0.837 0.562 1.200) 1.567 2.161 ( -3.348 -0.766 0.535) 3.476 2.607 ( -9.787 22.216 2.743) 24.431 2.918 ( -0.159 -3.720 0.045) 3.723 2.998 ( -1.679 -0.247 -0.237) 1.713 3.047 ( 6.455 -1.274 0.171) 6.582 3.215 ( -0.840 4.148 0.566) 4.270 3.337 ( 0.448 1.126 0.374) 1.268 3.405 ( -0.543 -0.481 -0.333) 0.798 3.747 ( 0.127 -1.837 1.098) 2.144 3.933 ( 9.508 -9.919 -3.873) 14.275 5.288 ( 1.300 -3.278 1.411) 3.798 5.426 ( -0.082 1.332 -4.209) 4.415 5.772 ( -0.554 3.105 0.979) 3.303 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.876 6.201 5.138) 8.100 0.783 ( -3.243 4.146 0.754) 5.317 1.124 ( -9.428 3.973 0.106) 10.231 1.236 ( 3.741 0.091 -0.200) 3.748 1.273 ( -2.830 -0.836 -0.138) 2.954 1.424 ( -1.846 6.509 -0.950) 6.832 1.550 ( 0.387 1.808 0.332) 1.879 1.680 ( 2.916 -3.276 0.082) 4.387 1.829 ( 0.545 -4.579 -1.681) 4.908 1.852 ( -1.987 0.446 1.124) 2.326 2.059 ( 4.731 0.177 -1.785) 5.059 2.280 ( 0.180 8.861 -1.834) 9.051 2.316 ( -1.549 0.358 -0.764) 1.764 2.980 ( 0.780 0.500 0.004) 0.927 3.008 ( 3.092 -1.287 -0.708) 3.423 3.072 ( -1.459 -1.708 0.155) 2.252 3.173 ( -0.945 2.117 -0.316) 2.340 3.355 ( -0.999 -0.108 -0.626) 1.184 3.388 ( 2.709 1.025 -0.248) 2.907 3.687 ( 4.487 6.379 0.290) 7.804 4.117 ( -10.701 -7.065 -11.808) 17.431 5.145 ( -3.967 6.944 1.160) 8.081 5.222 ( -9.708 4.670 0.151) 10.774 5.935 ( 9.761 -8.382 1.476) 12.950 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -8.199 4.593 1.968) 9.602 0.784 ( -1.002 2.231 3.876) 4.583 1.115 ( 0.538 6.579 -1.010) 6.677 1.224 ( -0.521 -0.583 1.045) 1.305 1.303 ( 1.858 3.373 -0.263) 3.860 1.432 ( -5.431 8.263 -1.176) 9.958 1.563 ( 2.159 -1.654 -1.950) 3.346 1.682 ( 0.771 -2.993 0.294) 3.105 1.800 ( 2.646 -5.203 0.008) 5.838 1.837 ( -1.948 2.065 0.277) 2.852 2.088 ( 0.090 -2.833 -0.683) 2.916 2.237 ( -7.397 0.807 -1.378) 7.567 2.280 ( -2.496 0.751 -1.655) 3.087 2.995 ( 0.220 0.480 0.276) 0.595 3.025 ( -0.946 -1.856 -0.745) 2.212 3.066 ( 3.339 0.204 -0.811) 3.442 3.165 ( -1.184 0.698 -0.142) 1.382 3.341 ( -0.063 0.024 -0.693) 0.696 3.402 ( -0.687 -0.774 -0.294) 1.076 3.792 ( -5.050 1.751 -3.733) 6.520 3.976 ( 9.702 5.494 -5.149) 12.281 5.146 ( -7.193 7.533 2.124) 10.631 5.195 ( -0.209 8.246 1.205) 8.336 5.964 ( 4.405 -11.226 0.270) 12.063 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -0.047 6.805 1.805) 7.041 0.793 ( 0.069 -1.253 2.373) 2.684 1.114 ( 0.140 -5.799 1.111) 5.906 1.277 ( 0.039 4.591 -0.964) 4.691 1.357 ( -3.183 8.612 0.031) 9.181 1.420 ( 0.029 4.932 -0.667) 4.977 1.586 ( 2.617 2.353 -2.598) 4.374 1.651 ( -0.958 -3.812 0.794) 4.010 1.807 ( 0.518 -2.254 0.539) 2.374 1.840 ( 1.266 0.340 1.071) 1.693 2.009 ( -3.633 -4.121 -0.166) 5.496 2.143 ( -0.615 -0.464 0.665) 1.018 2.270 ( 1.463 -1.921 0.898) 2.576 2.982 ( -1.054 -0.785 -0.097) 1.318 3.018 ( 0.354 0.769 -1.593) 1.804 3.085 ( -0.046 -1.528 0.344) 1.567 3.159 ( 0.666 0.343 -0.283) 0.801 3.346 ( 1.239 -0.462 -0.636) 1.467 3.374 ( -1.342 -0.232 -0.243) 1.383 3.743 ( -0.468 3.504 -3.983) 5.326 4.132 ( -0.057 7.466 -1.133) 7.552 5.158 ( -2.248 6.975 3.882) 8.293 5.301 ( 3.625 8.813 -0.857) 9.568 5.880 ( -0.276 -12.547 -1.174) 12.605 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 3.224 -1.306 0.997) 3.619 0.854 ( 6.418 6.039 0.253) 8.816 1.073 ( 2.659 -8.856 2.029) 9.467 1.263 ( -3.003 1.531 -1.560) 3.714 1.356 ( -5.041 8.169 0.314) 9.604 1.495 ( 2.897 3.228 -1.546) 4.605 1.593 ( -3.336 -1.885 1.068) 3.978 1.640 ( -0.198 0.398 0.208) 0.491 1.747 ( -4.753 -2.630 -0.012) 5.432 1.886 ( 3.900 1.220 0.335) 4.100 1.979 ( 2.352 -0.118 1.146) 2.619 2.268 ( -0.059 -0.277 1.823) 1.845 2.303 ( 16.389 2.733 3.787) 17.042 2.952 ( -1.675 -1.189 -0.330) 2.080 2.996 ( -2.399 -0.673 -0.913) 2.653 3.071 ( -0.557 0.424 0.213) 0.731 3.194 ( 2.589 0.919 0.455) 2.785 3.356 ( -0.609 0.477 0.026) 0.774 3.364 ( 1.585 -0.981 -0.447) 1.917 3.754 ( 0.163 1.581 -2.904) 3.310 4.086 ( -12.207 5.700 0.808) 13.496 5.218 ( 0.409 3.680 4.340) 5.705 5.420 ( 2.708 5.169 -4.650) 7.461 5.762 ( 0.372 -8.403 -0.398) 8.420 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 4.668 0.822 -1.289) 4.912 0.967 ( 3.199 -2.611 0.818) 4.209 1.104 ( 6.575 -1.392 1.032) 6.799 1.212 ( -3.535 0.171 -0.896) 3.651 1.357 ( -3.502 6.618 0.598) 7.511 1.503 ( -5.781 -3.918 0.420) 6.996 1.531 ( 0.359 -0.184 -1.360) 1.419 1.567 ( -2.815 -2.484 0.003) 3.754 1.706 ( -1.020 0.903 0.897) 1.632 1.972 ( 3.637 2.282 -0.426) 4.315 2.035 ( 2.866 0.329 1.428) 3.219 2.231 ( -4.057 -0.160 0.901) 4.159 2.720 ( 22.605 7.634 2.978) 24.044 2.902 ( -2.183 -1.516 -0.764) 2.765 2.956 ( -1.800 0.177 0.622) 1.913 3.056 ( -3.484 1.290 0.331) 3.729 3.258 ( 2.347 3.790 1.494) 4.701 3.350 ( -0.350 0.221 0.073) 0.420 3.385 ( 1.951 -0.832 -0.039) 2.121 3.732 ( -1.445 -1.306 -0.791) 2.102 3.898 ( -13.604 0.982 -0.533) 13.649 5.276 ( 0.503 0.928 3.018) 3.197 5.394 ( -0.479 -2.656 -5.049) 5.725 5.775 ( 3.167 0.963 0.836) 3.414 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.795 0.597 1.075) 1.464 0.846 ( -0.542 9.135 1.014) 9.207 1.107 ( 9.806 -2.133 -1.823) 10.200 1.245 ( -3.321 -1.381 0.553) 3.639 1.363 ( -9.693 -0.265 -0.552) 9.712 1.466 ( -0.343 3.289 1.717) 3.726 1.599 ( 2.354 -3.665 0.346) 4.370 1.637 ( -1.847 2.926 0.474) 3.492 1.752 ( -0.058 -6.819 -0.556) 6.842 1.891 ( 0.362 3.251 -0.164) 3.275 2.010 ( 1.803 2.681 -2.368) 4.006 2.290 ( -0.247 -1.248 -0.690) 1.447 2.353 ( 8.615 17.622 -2.100) 19.727 2.952 ( 0.348 -2.487 -0.349) 2.536 2.980 ( -0.712 -1.415 0.831) 1.789 3.076 ( -0.709 -0.260 -0.335) 0.826 3.204 ( 0.326 3.424 -0.695) 3.509 3.356 ( 2.207 1.016 0.019) 2.430 3.363 ( -0.826 -0.184 -0.473) 0.970 3.714 ( -2.186 1.920 1.907) 3.479 4.148 ( -10.352 -10.079 -6.766) 15.954 5.258 ( -3.198 2.722 0.654) 4.250 5.370 ( -5.120 0.565 0.825) 5.217 5.752 ( 7.575 -1.155 0.440) 7.675 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.196 1.903 2.562) 3.408 0.921 ( -4.551 6.598 0.048) 8.016 1.146 ( -2.592 -1.722 -1.539) 3.471 1.216 ( 2.393 0.056 1.314) 2.731 1.287 ( 1.355 3.251 -1.291) 3.751 1.505 ( 0.773 2.425 0.169) 2.551 1.560 ( -1.603 -2.289 -1.686) 3.263 1.643 ( 1.036 -2.300 -0.023) 2.523 1.703 ( 1.302 -4.976 0.247) 5.149 1.907 ( -2.366 4.217 0.508) 4.862 2.054 ( 2.159 1.559 -2.224) 3.469 2.239 ( -1.808 -4.067 -0.494) 4.478 2.491 ( -11.078 13.157 -4.399) 17.753 2.968 ( 2.558 -2.739 0.622) 3.799 2.993 ( 4.636 1.110 -1.225) 4.922 3.035 ( -2.315 -1.819 -0.095) 2.945 3.201 ( -2.459 1.355 -0.488) 2.850 3.341 ( -0.830 -0.290 -0.901) 1.259 3.404 ( 0.813 0.614 0.039) 1.020 3.812 ( 10.839 4.418 1.293) 11.776 3.868 ( -7.646 -7.586 -3.153) 11.223 5.253 ( -0.859 5.018 -1.410) 5.283 5.340 ( -4.585 3.462 5.467) 7.931 5.817 ( 3.767 -4.796 -0.576) 6.125 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -2.103 -0.362 1.356) 2.528 0.827 ( -7.724 5.245 0.757) 9.368 1.075 ( -2.274 -7.215 0.291) 7.571 1.271 ( 2.802 1.782 -1.208) 3.534 1.397 ( 3.966 6.976 -0.222) 8.027 1.503 ( 0.258 0.065 -2.371) 2.386 1.550 ( 0.190 3.110 -0.951) 3.258 1.628 ( 0.257 -1.854 -0.431) 1.921 1.709 ( 4.696 -5.418 0.907) 7.227 1.902 ( -3.519 3.370 1.428) 5.078 2.042 ( -3.323 -1.204 -1.026) 3.681 2.204 ( 1.928 -1.889 -0.380) 2.726 2.271 ( -15.470 -0.305 -2.150) 15.622 2.983 ( 1.397 -1.283 -0.775) 2.049 3.003 ( 0.595 -0.750 0.929) 1.334 3.062 ( 1.396 1.377 -1.241) 2.321 3.168 ( -1.758 -0.055 -0.124) 1.763 3.327 ( 0.050 0.164 -0.728) 0.748 3.397 ( -1.176 -0.032 0.259) 1.205 3.767 ( -0.723 1.155 -2.276) 2.653 4.082 ( 12.336 6.359 1.536) 13.963 5.312 ( -2.248 8.522 0.460) 8.826 5.329 ( -0.573 1.677 5.240) 5.532 5.774 ( -0.770 -7.733 -2.092) 8.048 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.610 -2.679 0.289) 2.763 0.861 ( 0.420 6.292 0.459) 6.322 0.969 ( -0.267 -10.021 0.797) 10.056 1.289 ( -0.320 0.139 -1.482) 1.523 1.467 ( 1.417 2.050 -1.287) 2.805 1.510 ( -3.319 5.892 0.177) 6.765 1.576 ( 1.345 -2.571 -0.767) 3.001 1.659 ( 1.813 4.340 -1.219) 4.859 1.758 ( 5.602 -2.564 1.070) 6.253 1.851 ( -4.413 -2.495 0.872) 5.145 1.981 ( -1.365 0.254 0.442) 1.457 2.124 ( 2.783 -0.984 0.685) 3.031 2.255 ( 3.129 -0.871 1.330) 3.510 2.969 ( -0.920 -0.483 -0.021) 1.039 3.034 ( -1.503 2.195 -0.727) 2.758 3.059 ( 1.351 -1.137 0.100) 1.769 3.159 ( 1.231 -0.152 0.161) 1.251 3.336 ( 0.624 0.666 -0.181) 0.930 3.382 ( -1.113 0.387 0.091) 1.182 3.784 ( -0.261 4.411 -2.031) 4.863 4.252 ( -0.040 4.850 2.955) 5.680 5.296 ( -3.391 1.378 4.363) 5.695 5.434 ( 1.388 6.429 -0.415) 6.590 5.663 ( -0.150 -7.368 -2.414) 7.755 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.321 -3.125 -0.290) 5.340 0.881 ( 3.469 -8.607 1.542) 9.407 0.989 ( 5.412 4.499 -0.825) 7.086 1.262 ( -2.286 -0.228 -0.438) 2.339 1.474 ( -2.687 2.621 -0.164) 3.757 1.516 ( -0.248 0.871 -1.871) 2.078 1.565 ( 0.252 -0.951 -1.143) 1.508 1.606 ( -8.704 -0.688 0.574) 8.750 1.731 ( -1.715 -1.573 0.340) 2.352 1.907 ( 6.517 1.006 -0.247) 6.599 2.002 ( 2.139 -0.190 1.290) 2.505 2.277 ( -0.772 -0.420 1.090) 1.400 2.351 ( 22.678 0.025 0.864) 22.694 2.946 ( -2.461 0.698 -0.209) 2.567 2.992 ( -2.414 1.062 -0.329) 2.658 3.092 ( 0.785 1.232 0.401) 1.515 3.207 ( 4.600 -0.734 0.574) 4.693 3.351 ( 0.246 0.927 -0.065) 0.961 3.376 ( 0.072 0.920 0.148) 0.935 3.793 ( -2.502 4.542 -1.028) 5.286 4.189 ( -14.870 3.715 3.777) 15.786 5.276 ( -0.434 -3.268 -2.363) 4.056 5.409 ( -4.846 1.162 2.800) 5.716 5.705 ( 6.819 1.295 -0.232) 6.945 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 -0.000 5.004) 5.004 0.387 ( 0.000 -0.000 5.004) 5.004 0.714 ( 0.000 -0.000 9.501) 9.501 1.227 ( 0.000 -0.000 0.444) 0.444 1.227 ( 0.000 -0.000 0.444) 0.444 1.245 ( -0.000 0.000 -1.979) 1.979 1.710 ( -0.000 0.000 -0.807) 0.807 1.783 ( -0.000 0.000 -2.030) 2.030 1.783 ( -0.000 0.000 -2.030) 2.030 1.796 ( -0.000 0.000 -0.749) 0.749 2.113 ( -0.000 0.000 -1.306) 1.306 2.326 ( -0.000 0.000 -0.507) 0.507 2.326 ( 0.000 0.000 -0.507) 0.507 2.984 ( 0.000 -0.000 0.763) 0.763 2.984 ( 0.000 -0.000 0.763) 0.763 3.067 ( -0.000 0.000 -0.317) 0.317 3.067 ( -0.000 0.000 -0.317) 0.317 3.316 ( 0.000 -0.000 0.312) 0.312 3.455 ( -0.000 0.000 -0.332) 0.332 3.641 ( -0.000 0.000 -1.504) 1.504 3.641 ( -0.000 0.000 -1.504) 1.504 4.881 ( -0.000 0.000 -1.367) 1.367 4.881 ( -0.000 0.000 -1.367) 1.367 6.428 ( 0.000 -0.000 0.143) 0.143 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 7.827 -3.581 3.809) 9.412 0.611 ( 10.858 13.932 3.492) 18.005 0.784 ( 3.871 0.112 5.901) 7.059 1.220 ( 0.514 -0.944 -0.013) 1.075 1.244 ( 0.799 1.747 -0.047) 1.922 1.266 ( 2.136 1.180 -0.858) 2.586 1.658 ( -3.475 -2.688 -1.074) 4.523 1.759 ( -0.436 -1.402 -1.355) 1.999 1.793 ( 0.668 2.355 -1.041) 2.661 1.849 ( 3.683 1.426 -0.665) 4.005 2.097 ( 0.066 -0.663 -0.657) 0.936 2.252 ( -6.002 -2.734 -0.052) 6.595 2.326 ( 0.628 -1.636 -0.797) 1.926 3.003 ( 0.844 -0.039 0.028) 0.845 3.017 ( -0.283 0.874 -0.289) 0.963 3.073 ( 0.789 2.237 0.457) 2.416 3.089 ( 3.172 -0.832 -0.765) 3.367 3.330 ( 0.956 0.579 0.054) 1.119 3.434 ( -1.738 -1.455 -0.217) 2.278 3.603 ( 0.477 -2.015 0.084) 2.072 3.837 ( 14.086 9.794 -8.309) 19.063 4.924 ( 3.620 4.022 -1.069) 5.516 4.942 ( 6.814 3.891 -0.816) 7.889 6.330 ( -8.993 -4.979 0.766) 10.308 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 7.038 0.307 1.792) 7.269 0.802 ( 0.009 2.596 4.243) 4.974 0.998 ( 15.243 7.560 0.140) 17.015 1.225 ( 0.018 -0.465 0.125) 0.482 1.279 ( 1.551 1.706 0.028) 2.306 1.324 ( 4.344 2.142 -0.851) 4.917 1.564 ( -3.956 -3.075 0.547) 5.040 1.723 ( -2.171 -1.397 -0.564) 2.643 1.820 ( 1.044 1.374 -0.626) 1.836 1.878 ( 0.395 -0.593 -1.269) 1.456 2.101 ( -5.688 -2.259 1.424) 6.284 2.135 ( 2.121 -2.248 -0.982) 3.242 2.315 ( 0.628 -2.147 -0.916) 2.417 2.989 ( -1.954 0.603 0.447) 2.093 3.012 ( 0.044 -0.578 -1.001) 1.157 3.100 ( 0.148 0.341 0.475) 0.603 3.130 ( 2.222 0.263 -0.015) 2.238 3.345 ( 0.832 -0.813 -0.191) 1.179 3.387 ( -2.115 -0.678 0.258) 2.236 3.620 ( 1.516 1.462 1.315) 2.483 4.053 ( 10.753 4.617 -9.799) 15.263 5.046 ( 6.543 5.578 -0.634) 8.622 5.132 ( 9.751 7.441 -1.579) 12.367 6.101 ( -12.816 -7.149 1.555) 14.757 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 6.780 2.374 0.148) 7.185 0.803 ( -1.842 -0.133 1.023) 2.111 1.142 ( -4.601 -3.905 -1.980) 6.351 1.252 ( 3.627 2.647 1.581) 4.760 1.358 ( 6.121 6.409 -0.047) 8.862 1.413 ( 3.418 1.999 0.225) 3.966 1.542 ( 4.362 -1.688 2.389) 5.252 1.656 ( -3.997 -1.847 0.196) 4.407 1.822 ( -1.120 -1.666 -1.071) 2.275 1.870 ( 0.469 0.303 -2.243) 2.312 1.998 ( -3.877 -0.079 1.085) 4.027 2.152 ( 0.940 -2.911 -0.481) 3.096 2.288 ( -0.145 -3.211 -1.165) 3.419 2.978 ( -0.714 0.352 0.692) 1.055 3.004 ( -0.180 1.144 -0.272) 1.190 3.088 ( -0.991 -1.414 0.084) 1.729 3.156 ( 1.074 -0.436 0.122) 1.165 3.336 ( 0.164 -1.898 0.473) 1.963 3.375 ( -0.520 1.508 -0.218) 1.610 3.689 ( 3.085 3.069 2.358) 4.949 4.171 ( 6.412 2.662 -5.838) 9.071 5.204 ( 6.594 5.817 -0.823) 8.832 5.314 ( 7.036 5.027 -2.695) 9.058 5.849 ( -11.762 -6.897 2.433) 13.850 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -4.038 3.776 3.972) 6.808 0.651 ( 3.837 17.593 2.001) 18.117 0.807 ( -1.427 1.357 4.348) 4.773 1.217 ( -0.838 -0.138 -0.018) 0.850 1.248 ( 1.141 1.806 -0.146) 2.141 1.257 ( -0.339 1.944 -0.316) 1.999 1.667 ( -0.394 -2.826 -1.351) 3.157 1.736 ( -0.504 -1.673 -0.491) 1.815 1.791 ( 0.924 1.587 -1.290) 2.244 1.844 ( -0.365 3.501 -0.148) 3.523 2.090 ( -0.442 -0.532 -0.321) 0.763 2.266 ( 0.702 -5.738 -0.628) 5.815 2.309 ( -1.516 -0.939 -0.036) 1.784 2.990 ( -0.056 0.284 0.472) 0.554 3.037 ( 0.597 0.422 -1.274) 1.469 3.073 ( 1.886 2.578 0.321) 3.210 3.086 ( -2.550 2.544 -0.309) 3.615 3.328 ( 0.083 0.722 0.152) 0.743 3.438 ( -0.245 -1.449 -0.367) 1.515 3.658 ( -4.246 2.430 -2.441) 5.467 3.742 ( 3.785 11.878 -2.949) 12.810 4.907 ( 0.768 4.263 -0.373) 4.348 4.944 ( 0.332 7.943 -1.016) 8.015 6.337 ( 0.134 -9.555 0.401) 9.564 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 4.559 7.261 4.380) 9.628 0.817 ( 0.746 -0.588 1.068) 1.429 0.899 ( 7.106 13.990 0.898) 15.717 1.223 ( 0.997 0.555 0.952) 1.486 1.269 ( 0.503 0.887 -0.413) 1.100 1.303 ( 2.507 4.497 -0.504) 5.174 1.600 ( -3.336 -3.001 -0.015) 4.487 1.718 ( -0.094 -1.926 -0.259) 1.945 1.815 ( 1.327 1.535 -1.245) 2.381 1.862 ( -0.672 -0.795 0.295) 1.082 2.105 ( 1.708 2.815 1.438) 3.593 2.171 ( -3.212 -6.797 -0.029) 7.518 2.286 ( -1.219 -1.172 1.023) 1.976 2.997 ( 0.573 0.251 -0.767) 0.990 3.048 ( -0.884 0.284 -0.478) 1.045 3.058 ( -0.339 -0.658 0.220) 0.772 3.131 ( 1.360 2.705 0.317) 3.044 3.334 ( -0.131 0.104 0.139) 0.217 3.413 ( -0.772 -0.889 0.017) 1.177 3.674 ( 0.549 6.370 0.813) 6.445 3.868 ( 5.323 3.752 -5.048) 8.240 5.027 ( 5.624 5.721 0.719) 8.054 5.058 ( 5.507 11.699 -3.393) 13.368 6.184 ( -6.909 -11.204 0.339) 13.167 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 2.100 10.225 1.637) 10.566 0.825 ( 0.161 -0.269 -0.410) 0.516 1.105 ( 6.844 3.060 -0.025) 7.497 1.236 ( -1.057 0.644 -0.119) 1.243 1.292 ( 4.008 -0.881 0.678) 4.159 1.419 ( 4.137 8.357 0.295) 9.329 1.530 ( -2.482 -2.177 2.012) 3.867 1.685 ( -1.771 -2.374 -0.088) 2.963 1.806 ( -2.191 -4.973 -0.697) 5.479 1.850 ( 1.435 2.834 -1.220) 3.403 2.073 ( -2.905 -2.477 1.154) 3.988 2.197 ( -0.418 7.707 3.048) 8.298 2.260 ( -0.536 -1.683 0.721) 1.908 3.000 ( -0.518 -0.584 0.462) 0.907 3.016 ( -1.827 1.523 -0.618) 2.457 3.057 ( 1.442 -3.726 0.289) 4.006 3.162 ( 0.009 1.673 0.182) 1.682 3.329 ( -0.405 -0.483 0.695) 0.938 3.401 ( -0.885 0.819 -0.081) 1.209 3.737 ( -2.466 7.145 2.377) 7.923 3.964 ( 11.787 -5.610 -3.246) 13.452 5.161 ( 5.258 5.900 0.436) 7.915 5.249 ( 6.548 9.576 -5.153) 12.694 5.958 ( -9.124 -9.514 1.000) 13.220 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -6.382 6.741 -1.619) 9.423 0.762 ( -0.466 3.956 6.226) 7.391 0.928 ( -6.151 10.152 -1.138) 11.925 1.239 ( -1.063 1.070 -0.720) 1.671 1.258 ( 0.041 1.337 0.740) 1.529 1.303 ( -2.892 4.340 -0.430) 5.233 1.604 ( 2.853 -3.147 -0.639) 4.295 1.724 ( 0.543 -1.848 -0.899) 2.125 1.805 ( -0.909 1.641 0.029) 1.876 1.866 ( -0.253 -1.259 -0.174) 1.296 2.119 ( -1.490 2.003 -0.167) 2.502 2.184 ( 3.110 -2.114 -1.594) 4.084 2.304 ( -0.773 -1.975 -1.066) 2.373 2.987 ( 0.352 0.017 0.330) 0.483 3.047 ( 0.921 0.843 -0.453) 1.328 3.060 ( -0.630 -0.995 0.178) 1.190 3.137 ( -1.158 2.367 -0.435) 2.671 3.337 ( -0.555 0.220 -0.106) 0.606 3.416 ( 1.105 -0.919 -0.312) 1.471 3.691 ( 1.818 6.502 -0.964) 6.820 3.864 ( -7.594 4.364 -4.981) 10.076 5.017 ( -6.095 8.506 1.506) 10.572 5.037 ( -3.914 7.238 -0.345) 8.236 6.181 ( 6.973 -11.294 0.686) 13.291 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.172 6.283 1.602) 6.486 0.832 ( -0.335 -1.041 1.463) 1.827 0.999 ( 0.214 17.429 -0.611) 17.441 1.220 ( -0.643 -0.522 0.605) 1.025 1.283 ( -0.464 2.222 -0.235) 2.282 1.316 ( 0.422 5.041 -0.013) 5.059 1.588 ( 0.476 -3.357 -2.074) 3.975 1.710 ( -0.479 -1.960 0.850) 2.190 1.810 ( -0.259 1.169 0.207) 1.215 1.863 ( 0.948 -1.190 0.661) 1.659 2.117 ( 0.128 -2.312 0.858) 2.470 2.127 ( -1.952 -2.821 -1.166) 3.623 2.301 ( 0.955 -0.772 0.763) 1.446 2.994 ( -0.410 -0.445 0.160) 0.626 3.011 ( 0.170 -0.769 -1.145) 1.389 3.101 ( 0.485 0.196 0.245) 0.578 3.135 ( -0.172 2.248 -0.516) 2.313 3.342 ( 0.428 0.583 0.189) 0.748 3.396 ( -0.400 -2.208 -0.740) 2.363 3.663 ( -0.703 2.515 -3.656) 4.493 3.958 ( 0.228 11.759 1.450) 11.850 5.028 ( -0.115 8.111 1.462) 8.242 5.118 ( 0.579 10.949 -0.037) 10.964 6.119 ( 0.034 -13.709 -0.548) 13.720 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 8.733 7.047 1.988) 11.397 0.803 ( -1.268 -0.071 -1.472) 1.944 1.121 ( -1.599 9.949 0.247) 10.079 1.224 ( 2.445 -3.207 1.079) 4.175 1.275 ( -2.426 1.366 -0.377) 2.810 1.415 ( 4.456 6.079 0.194) 7.540 1.563 ( -0.495 1.108 -0.837) 1.474 1.676 ( -0.922 -3.320 0.412) 3.470 1.807 ( -1.992 -2.231 0.654) 3.061 1.863 ( -0.551 1.261 0.026) 1.376 2.038 ( 1.013 -5.841 0.691) 5.968 2.233 ( 7.957 5.693 3.659) 10.446 2.295 ( -2.142 0.032 1.725) 2.750 2.986 ( 0.726 -1.065 -0.443) 1.363 3.005 ( 0.359 -2.134 -0.634) 2.255 3.071 ( -2.941 0.153 0.204) 2.952 3.170 ( 1.322 1.700 0.070) 2.155 3.345 ( -0.938 0.562 0.542) 1.220 3.389 ( 1.902 -1.567 -0.349) 2.489 3.717 ( 6.917 0.641 -3.181) 7.640 3.979 ( -10.267 7.395 4.604) 13.464 5.146 ( 3.765 6.018 1.420) 7.239 5.242 ( 3.197 11.264 -2.733) 12.023 5.957 ( -3.612 -12.617 -0.976) 13.160 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 -0.000 1.793) 1.793 0.444 ( 0.000 -0.000 1.793) 1.793 0.824 ( 0.000 -0.000 3.472) 3.472 1.223 ( -0.000 0.000 -0.661) 0.661 1.233 ( 0.000 -0.000 0.198) 0.198 1.233 ( 0.000 -0.000 0.198) 0.198 1.699 ( -0.000 0.000 -0.401) 0.401 1.758 ( -0.000 0.000 -0.814) 0.814 1.758 ( -0.000 0.000 -0.814) 0.814 1.784 ( -0.000 0.000 -0.466) 0.466 2.098 ( -0.000 0.000 -0.480) 0.480 2.319 ( 0.000 0.000 -0.223) 0.223 2.319 ( -0.000 0.000 -0.223) 0.223 2.994 ( 0.000 -0.000 0.341) 0.341 2.994 ( 0.000 -0.000 0.341) 0.341 3.062 ( -0.000 0.000 -0.162) 0.162 3.062 ( -0.000 0.000 -0.162) 0.162 3.320 ( 0.000 -0.000 0.123) 0.123 3.451 ( -0.000 0.000 -0.128) 0.128 3.625 ( 0.000 0.000 -0.455) 0.455 3.625 ( -0.000 0.000 -0.455) 0.455 4.863 ( -0.000 0.000 -0.651) 0.651 4.863 ( -0.000 0.000 -0.651) 0.651 6.430 ( 0.000 -0.000 0.056) 0.056 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 4.090 0.921 -0.414) 4.213 0.653 ( 14.999 10.083 1.457) 18.131 0.840 ( 0.496 -0.133 0.673) 0.847 1.217 ( 0.317 0.039 -0.118) 0.341 1.247 ( 1.141 0.966 0.198) 1.508 1.257 ( 1.846 0.921 -0.260) 2.079 1.651 ( -3.196 -1.953 0.347) 3.762 1.739 ( -0.822 -0.630 -0.843) 1.335 1.782 ( 1.477 1.143 -0.150) 1.873 1.843 ( 3.495 1.879 -0.088) 3.969 2.090 ( 0.135 -0.094 -0.214) 0.270 2.256 ( -5.733 -2.725 0.497) 6.368 2.313 ( -0.056 -0.768 -0.566) 0.956 2.999 ( 0.153 0.042 -0.458) 0.485 3.020 ( -0.074 0.301 0.666) 0.734 3.078 ( 2.767 1.099 -0.110) 2.979 3.082 ( 1.383 0.993 0.082) 1.705 3.330 ( 0.731 0.392 -0.058) 0.831 3.434 ( -1.591 -0.948 0.146) 1.858 3.621 ( 0.480 -0.132 1.922) 1.985 3.744 ( 10.068 6.163 -3.020) 12.185 4.909 ( 4.291 2.762 -0.604) 5.139 4.935 ( 6.897 3.950 0.037) 7.948 6.338 ( -8.321 -4.772 0.195) 9.594 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/17496 10.0 17.999 17.999 5.416 0.000 -0.000 0.000 3/17496 20.0 9.538 9.538 2.090 0.000 -0.000 0.000 3/17496 30.0 6.280 6.280 1.271 0.000 -0.000 0.000 3/17496 40.0 4.667 4.667 0.939 0.000 -0.000 0.000 3/17496 50.0 3.724 3.724 0.765 0.000 -0.000 0.000 3/17496 60.0 3.109 3.109 0.656 0.000 -0.000 0.000 3/17496 70.0 2.674 2.674 0.579 0.000 -0.000 0.000 3/17496 80.0 2.350 2.350 0.520 0.000 -0.000 0.000 3/17496 90.0 2.097 2.097 0.472 0.000 -0.000 0.000 3/17496 100.0 1.894 1.894 0.432 0.000 -0.000 0.000 3/17496 110.0 1.728 1.728 0.399 0.000 -0.000 0.000 3/17496 120.0 1.588 1.588 0.370 0.000 -0.000 0.000 3/17496 130.0 1.469 1.469 0.345 0.000 -0.000 0.000 3/17496 140.0 1.367 1.367 0.323 0.000 -0.000 0.000 3/17496 150.0 1.278 1.278 0.304 0.000 -0.000 0.000 3/17496 160.0 1.200 1.200 0.286 0.000 -0.000 0.000 3/17496 170.0 1.131 1.131 0.271 0.000 -0.000 0.000 3/17496 180.0 1.070 1.070 0.257 0.000 -0.000 0.000 3/17496 190.0 1.014 1.014 0.244 0.000 -0.000 0.000 3/17496 200.0 0.964 0.964 0.233 0.000 -0.000 0.000 3/17496 210.0 0.919 0.919 0.222 0.000 -0.000 0.000 3/17496 220.0 0.878 0.878 0.213 0.000 -0.000 0.000 3/17496 230.0 0.840 0.840 0.204 0.000 -0.000 0.000 3/17496 240.0 0.806 0.806 0.196 0.000 -0.000 0.000 3/17496 250.0 0.774 0.774 0.188 0.000 -0.000 0.000 3/17496 260.0 0.744 0.744 0.181 0.000 -0.000 0.000 3/17496 270.0 0.717 0.717 0.175 0.000 -0.000 0.000 3/17496 280.0 0.692 0.692 0.169 0.000 -0.000 0.000 3/17496 290.0 0.668 0.668 0.163 0.000 -0.000 0.000 3/17496 300.0 0.646 0.646 0.158 0.000 -0.000 0.000 3/17496 310.0 0.625 0.625 0.153 0.000 -0.000 0.000 3/17496 320.0 0.606 0.606 0.148 0.000 -0.000 0.000 3/17496 330.0 0.588 0.588 0.144 0.000 -0.000 0.000 3/17496 340.0 0.570 0.570 0.140 0.000 -0.000 0.000 3/17496 350.0 0.554 0.554 0.136 0.000 -0.000 0.000 3/17496 360.0 0.539 0.539 0.132 0.000 -0.000 0.000 3/17496 370.0 0.524 0.524 0.129 0.000 -0.000 0.000 3/17496 380.0 0.511 0.511 0.125 0.000 -0.000 0.000 3/17496 390.0 0.498 0.498 0.122 0.000 -0.000 0.000 3/17496 400.0 0.485 0.485 0.119 0.000 -0.000 0.000 3/17496 410.0 0.474 0.474 0.116 0.000 -0.000 0.000 3/17496 420.0 0.462 0.462 0.113 0.000 -0.000 0.000 3/17496 430.0 0.452 0.452 0.111 0.000 -0.000 0.000 3/17496 440.0 0.441 0.441 0.108 0.000 -0.000 0.000 3/17496 450.0 0.432 0.432 0.106 0.000 -0.000 0.000 3/17496 460.0 0.422 0.422 0.104 0.000 -0.000 0.000 3/17496 470.0 0.413 0.413 0.102 0.000 -0.000 0.000 3/17496 480.0 0.405 0.405 0.099 0.000 -0.000 0.000 3/17496 490.0 0.397 0.397 0.097 0.000 -0.000 0.000 3/17496 500.0 0.389 0.389 0.096 0.000 -0.000 0.000 3/17496 510.0 0.381 0.381 0.094 0.000 -0.000 0.000 3/17496 520.0 0.374 0.374 0.092 0.000 -0.000 0.000 3/17496 530.0 0.367 0.367 0.090 0.000 -0.000 0.000 3/17496 540.0 0.360 0.360 0.089 0.000 -0.000 0.000 3/17496 550.0 0.353 0.353 0.087 0.000 -0.000 0.000 3/17496 560.0 0.347 0.347 0.085 0.000 -0.000 0.000 3/17496 570.0 0.341 0.341 0.084 0.000 -0.000 0.000 3/17496 580.0 0.335 0.335 0.082 0.000 -0.000 0.000 3/17496 590.0 0.329 0.329 0.081 0.000 -0.000 0.000 3/17496 600.0 0.324 0.324 0.080 0.000 -0.000 0.000 3/17496 610.0 0.319 0.319 0.078 0.000 -0.000 0.000 3/17496 620.0 0.314 0.314 0.077 0.000 -0.000 0.000 3/17496 630.0 0.309 0.309 0.076 0.000 -0.000 0.000 3/17496 640.0 0.304 0.304 0.075 0.000 -0.000 0.000 3/17496 650.0 0.299 0.299 0.074 0.000 -0.000 0.000 3/17496 660.0 0.295 0.295 0.073 0.000 -0.000 0.000 3/17496 670.0 0.290 0.290 0.071 0.000 -0.000 0.000 3/17496 680.0 0.286 0.286 0.070 0.000 -0.000 0.000 3/17496 690.0 0.282 0.282 0.069 0.000 -0.000 0.000 3/17496 700.0 0.278 0.278 0.068 0.000 -0.000 0.000 3/17496 710.0 0.274 0.274 0.067 0.000 -0.000 0.000 3/17496 720.0 0.270 0.270 0.067 0.000 -0.000 0.000 3/17496 730.0 0.266 0.266 0.066 0.000 -0.000 0.000 3/17496 740.0 0.263 0.263 0.065 0.000 -0.000 0.000 3/17496 750.0 0.259 0.259 0.064 0.000 -0.000 0.000 3/17496 760.0 0.256 0.256 0.063 0.000 -0.000 0.000 3/17496 770.0 0.253 0.253 0.062 0.000 -0.000 0.000 3/17496 780.0 0.249 0.249 0.061 0.000 -0.000 0.000 3/17496 790.0 0.246 0.246 0.061 0.000 -0.000 0.000 3/17496 800.0 0.243 0.243 0.060 0.000 -0.000 0.000 3/17496 810.0 0.240 0.240 0.059 0.000 -0.000 0.000 3/17496 820.0 0.237 0.237 0.058 0.000 -0.000 0.000 3/17496 830.0 0.234 0.234 0.058 0.000 -0.000 0.000 3/17496 840.0 0.232 0.232 0.057 0.000 -0.000 0.000 3/17496 850.0 0.229 0.229 0.056 0.000 -0.000 0.000 3/17496 860.0 0.226 0.226 0.056 0.000 -0.000 0.000 3/17496 870.0 0.224 0.224 0.055 0.000 -0.000 0.000 3/17496 880.0 0.221 0.221 0.054 0.000 -0.000 0.000 3/17496 890.0 0.219 0.219 0.054 0.000 -0.000 0.000 3/17496 900.0 0.216 0.216 0.053 0.000 -0.000 0.000 3/17496 910.0 0.214 0.214 0.053 0.000 -0.000 0.000 3/17496 920.0 0.211 0.211 0.052 0.000 -0.000 0.000 3/17496 930.0 0.209 0.209 0.052 0.000 -0.000 0.000 3/17496 940.0 0.207 0.207 0.051 0.000 -0.000 0.000 3/17496 950.0 0.205 0.205 0.050 0.000 -0.000 0.000 3/17496 960.0 0.203 0.203 0.050 0.000 -0.000 0.000 3/17496 970.0 0.201 0.201 0.049 0.000 -0.000 0.000 3/17496 980.0 0.198 0.198 0.049 0.000 -0.000 0.000 3/17496 990.0 0.196 0.196 0.048 0.000 -0.000 0.000 3/17496 1000.0 0.195 0.195 0.048 0.000 -0.000 0.000 3/17496 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:22:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|